data_2kmf_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 2kmf _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 ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.442 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' ' HG1' ' A' ' 66' ' ' THR . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.447 ' HG1' ' H ' ' A' ' 60' ' ' GLY . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.471 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 87' ' ' ILE . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.498 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.498 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.446 ' O ' ' OG1' ' A' ' 17' ' ' THR . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.521 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.41 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.54 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.54 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.441 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.7 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.439 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.57 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.511 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 76' ' ' ALA . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 5' ' ' THR . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.529 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.5 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.517 ' O ' ' NH2' ' A' ' 43' ' ' ARG . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.565 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.579 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 57' ' ' GLY . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.519 ' C ' HE21 ' A' ' 101' ' ' GLN . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.409 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.519 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.8 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.409 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.568 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 11' ' ' TYR . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ASP . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 35' ' ' ARG . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.517 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' NE2' ' C ' ' A' ' 5' ' ' THR . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.547 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.547 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.443 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.517 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.456 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.9 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 109' ' ' GLY . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.611 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.527 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.448 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.422 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.476 ' CB ' ' HZ3' ' A' ' 90' ' ' LYS . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.476 ' HZ3' ' CB ' ' A' ' 88' ' ' PRO . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.493 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.611 ' HG1' HH22 ' A' ' 23' ' ' ARG . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.493 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 101' ' ' GLN . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.619 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 5' ' ' THR . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.529 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' C ' HE21 ' A' ' 101' ' ' GLN . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.471 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.2 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.711 HH22 ' HG1' ' A' ' 100' ' ' THR . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 31' ' ' ASP . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.554 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' A' ' 5' ' ' THR . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.711 ' HG1' HH22 ' A' ' 23' ' ' ARG . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.0 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.62 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.62 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.479 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' A' ' 5' ' ' THR . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.463 ' C ' HE21 ' A' ' 101' ' ' GLN . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.479 ' HG1' HH22 ' A' ' 23' ' ' ARG . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.463 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.535 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 101' ' ' GLN . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.535 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.617 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.597 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.531 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 5' ' ' THR . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' OG ' ' A' ' 74' ' ' SER . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' OG ' ' A' ' 74' ' ' SER . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.531 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.462 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.9 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.428 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.593 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.564 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' NH1' ' NE2' ' A' ' 39' ' ' GLN . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.518 ' CD1' HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.518 HH21 ' CD1' ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.532 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.532 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.608 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' ASP . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.583 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.496 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HZ3' ' CB ' ' A' ' 11' ' ' TYR . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.475 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.475 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.3 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.548 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD2' ' OH ' ' A' ' 53' ' ' TYR . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.507 ' CG ' ' HZ3' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.56 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.509 HE22 ' C ' ' A' ' 84' ' ' ALA . 68.7 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' A' ' 5' ' ' THR . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.533 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.579 ' HG ' ' H ' ' A' ' 82' ' ' TYR . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.579 ' H ' ' HG ' ' A' ' 81' ' ' SER . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HZ3' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.2 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.615 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' O ' ' OG1' ' A' ' 17' ' ' THR . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.571 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.421 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 5' ' ' THR . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.406 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.59 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.538 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.606 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.477 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' GLY . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.2 m-20 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.501 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.501 HE21 ' C ' ' A' ' 97' ' ' LEU . 29.3 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 17' ' ' THR . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.533 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 83' ' ' GLY . 0.9 OUTLIER -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.441 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.442 ' O ' ' OE1' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 100' ' ' THR . 54.7 mm-40 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.562 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.603 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 5' ' ' THR . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.569 ' HG1' ' N ' ' A' ' 81' ' ' SER . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.569 ' N ' ' HG1' ' A' ' 80' ' ' THR . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.603 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.573 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.466 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . 0.466 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.3 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.586 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' CA ' ' HZ2' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.555 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.4 OUTLIER -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.511 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.488 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 81' ' ' SER . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.468 ' HZ2' ' CA ' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.582 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.546 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 57' ' ' GLY . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.546 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.434 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -66.57 -19.66 54.22 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.66 2.24 . . . . 0.0 111.96 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.04 139.14 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.222 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 160.4 104.17 0.19 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.1 p -77.29 161.0 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.47 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m -64.12 -38.85 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 3' ' ' SER . 51.7 t0 -70.1 154.09 42.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.462 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 13.6 p -132.3 128.75 38.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.349 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 117.23 3.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p -65.82 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' H ' ' HG1' ' A' ' 66' ' ' THR . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.447 ' HG1' ' H ' ' A' ' 60' ' ' GLY . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.471 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 87' ' ' ILE . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.498 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 60.8 Cg_endo -69.48 151.46 70.64 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.793 2.329 . . . . 0.0 111.905 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.1 147.31 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.52 -68.88 0.48 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.1 m -72.08 144.15 48.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.0 m -99.68 132.07 45.26 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 4' ' ' GLY . 97.1 m-20 -72.05 -17.44 62.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p 65.84 -2.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 2' ' ' ASP . . . 50.71 61.26 6.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p -65.34 -34.53 78.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.446 ' O ' ' OG1' ' A' ' 17' ' ' THR . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.521 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.41 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.54 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.54 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.7 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.32 144.93 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.728 2.286 . . . . 0.0 112.102 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 9.6 mp -78.58 148.22 33.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.53 -169.28 22.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -60.69 -43.63 97.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.682 0.277 . . . . 0.0 110.656 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m 40.81 64.91 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -89.51 0.16 57.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.589 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -72.07 97.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 131.78 1.27 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p -66.43 -31.74 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.57 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.511 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.402 ' HE ' ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 76' ' ' ALA . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.481 ' NE2' ' C ' ' A' ' 5' ' ' THR . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.529 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.5 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.423 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.517 ' O ' ' NH2' ' A' ' 43' ' ' ARG . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HA ' ' HE ' ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.41 145.4 98.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.714 2.276 . . . . 0.0 111.971 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.65 128.43 35.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.182 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.32 -4.51 2.03 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.3 t -65.93 142.63 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.0 t -148.8 158.31 44.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.76 141.1 55.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' GLY . 14.0 p -62.84 -97.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 58.66 117.35 0.01 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p -65.58 -31.5 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.565 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.439 ' H ' ' HG ' ' A' ' 12' ' ' SER . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.579 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 57' ' ' GLY . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' O ' ' CG2' ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' CB ' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.519 ' C ' HE21 ' A' ' 101' ' ' GLN . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.409 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.519 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.8 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.409 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -65.66 -23.74 56.14 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.658 2.239 . . . . 0.0 111.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -42.28 99.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.55 160.52 53.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.2 m -72.23 142.11 48.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.788 0.328 . . . . 0.0 110.664 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.24 -46.71 15.78 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 40.1 p-10 -95.8 118.73 33.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -82.85 131.13 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.386 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 69.35 1.39 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p -65.37 -32.51 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.568 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 11' ' ' TYR . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' C ' ' H ' ' A' ' 31' ' ' ASP . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.551 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.422 ' C ' ' H ' ' A' ' 35' ' ' ARG . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.444 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.517 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' NE2' ' C ' ' A' ' 5' ' ' THR . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.547 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.547 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.443 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.517 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.456 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.9 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 109' ' ' GLY . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.35 -18.86 50.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.796 2.331 . . . . 0.0 112.06 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.6 mt -95.28 132.23 40.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.69 23.94 68.67 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.8 t -137.28 143.03 41.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.0 m -98.59 159.46 14.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -144.99 168.56 19.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -102.9 121.53 42.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 50.38 176.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p -67.14 -30.13 70.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.611 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.527 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.519 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.51 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.448 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.422 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' CB ' ' HZ3' ' A' ' 90' ' ' LYS . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.476 ' HZ3' ' CB ' ' A' ' 88' ' ' PRO . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.611 ' HG1' HH22 ' A' ' 23' ' ' ARG . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.493 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.436 ' OG ' ' O ' ' A' ' 101' ' ' GLN . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.9 Cg_exo -60.11 144.55 99.47 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.731 2.287 . . . . 0.0 111.878 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -83.82 139.36 32.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.584 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.39 -15.97 80.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.7 t 56.71 167.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.483 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.5 t -73.12 128.87 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.447 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 133.38 56.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.18 153.21 24.66 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p -67.84 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.619 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.42 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 5' ' ' THR . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.529 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.529 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' C ' HE21 ' A' ' 101' ' ' GLN . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.471 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.2 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 154.2 63.64 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.867 2.378 . . . . 0.0 111.91 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.8 mt -96.07 134.89 38.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.083 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.33 73.61 0.96 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.5 t -64.94 146.41 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.27 90.35 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -138.9 -24.26 0.91 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.517 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.53 -172.74 53.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p -66.45 -34.42 77.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.711 HH22 ' HG1' ' A' ' 100' ' ' THR . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.522 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.457 ' C ' ' H ' ' A' ' 31' ' ' ASP . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.554 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' A' ' 5' ' ' THR . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.711 ' HG1' HH22 ' A' ' 23' ' ' ARG . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.0 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.65 152.46 74.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.822 2.348 . . . . 0.0 112.065 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 49.6 tp -62.7 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.368 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 140.63 156.02 6.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 m -71.65 149.97 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.73 0.3 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.19 102.68 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -81.17 142.27 33.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.12 137.1 57.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.6 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.08 148.94 0.06 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p -67.03 -31.65 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.62 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.62 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.479 HH22 ' HG1' ' A' ' 100' ' ' THR . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' NE2' ' C ' ' A' ' 5' ' ' THR . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.463 ' C ' HE21 ' A' ' 101' ' ' GLN . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.479 ' HG1' HH22 ' A' ' 23' ' ' ARG . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.463 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.535 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 101' ' ' GLN . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.535 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.97 -19.5 51.95 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.72 2.28 . . . . 0.0 111.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' -2' ' ' LEU . 10.4 mp -75.24 143.68 42.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.32 -162.15 23.23 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 0' ' ' SER . 5.0 t 57.65 60.15 2.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.509 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.1 t -85.12 131.6 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.42 146.85 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -152.18 150.04 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.498 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 174.4 45.28 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p -66.37 -35.9 81.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.617 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.597 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.531 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' NE2' ' C ' ' A' ' 5' ' ' THR . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.424 ' O ' ' OG ' ' A' ' 74' ' ' SER . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 71' ' ' ALA . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.41 ' N ' ' OG ' ' A' ' 74' ' ' SER . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.531 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.462 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.9 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.556 ' C ' ' H ' ' A' ' -1' ' ' GLY . 37.6 Cg_endo -65.1 -29.19 56.56 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.711 2.274 . . . . 0.0 111.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.9 mt 55.12 4.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.556 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . -94.31 -4.63 62.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 t -61.36 -44.07 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.696 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 m 40.37 49.38 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.97 140.74 57.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -103.87 144.27 31.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 92.23 1.75 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p -66.04 -29.37 69.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.428 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.593 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.564 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' NH1' ' NE2' ' A' ' 39' ' ' GLN . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 56' ' ' LYS . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.518 ' CD1' HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.518 HH21 ' CD1' ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.532 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.532 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.39 155.53 63.65 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 123.008 2.472 . . . . 0.0 112.07 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.65 -43.03 97.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.489 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.42 15.16 81.74 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.2 m -80.5 -7.3 59.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m -84.19 69.09 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.35 41.76 3.41 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.519 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -60.19 -39.39 86.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.01 -162.57 48.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p -65.14 -30.68 71.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.608 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' C ' ' H ' ' A' ' 31' ' ' ASP . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.583 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' H ' ' C ' ' A' ' 29' ' ' PRO . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.496 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' HZ3' ' CB ' ' A' ' 11' ' ' TYR . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.475 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.475 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.3 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' -1' ' ' GLY . 55.6 Cg_endo -69.34 -20.75 36.42 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.679 2.253 . . . . 0.0 112.061 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.3 mt 58.1 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 82.79 14.68 74.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 88.6 p -75.9 160.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.709 0.29 . . . . 0.0 110.47 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p -83.58 114.55 21.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -43.52 98.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 54.05 81.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.01 112.17 0.32 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p -66.41 -31.12 71.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.548 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD2' ' OH ' ' A' ' 53' ' ' TYR . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.507 ' CG ' ' HZ3' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.56 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.509 HE22 ' C ' ' A' ' 84' ' ' ALA . 68.7 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' A' ' 5' ' ' THR . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.533 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.579 ' HG ' ' H ' ' A' ' 82' ' ' TYR . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.579 ' H ' ' HG ' ' A' ' 81' ' ' SER . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HZ3' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.2 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.91 -18.78 46.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.698 2.266 . . . . 0.0 111.804 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.66 1.12 56.7 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -61.67 -43.41 99.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 0' ' ' SER . 4.4 t 51.14 64.53 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p -165.38 43.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.581 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 52.9 p-10 -71.38 144.71 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -151.34 130.25 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 110.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p -64.21 -40.5 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.615 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' O ' ' OG1' ' A' ' 17' ' ' THR . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.571 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.421 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.421 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 5' ' ' THR . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 27.8 Cg_exo -60.47 146.49 96.72 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.774 2.316 . . . . 0.0 111.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.64 148.11 46.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.468 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.94 14.51 74.99 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -73.12 148.84 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.326 . . . . 0.0 110.288 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.0 m 41.09 86.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.77 -2.06 49.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -59.45 136.44 57.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.245 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p -64.84 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.59 ' ND2' ' H ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.1 -36.63 77.44 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.711 2.274 . . . . 0.0 111.986 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.56 130.62 45.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.78 49.71 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 m -59.51 -42.63 92.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 40.3 t 40.39 32.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.15 86.58 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.416 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -72.32 140.25 48.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.36 106.88 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p -65.42 -28.79 69.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.538 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.606 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.477 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 57' ' ' GLY . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.2 m-20 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.501 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.501 HE21 ' C ' ' A' ' 97' ' ' LEU . 29.3 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -59.92 146.69 95.23 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.841 2.361 . . . . 0.0 112.06 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.99 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.319 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.56 22.57 53.38 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.2 t -61.72 145.11 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.4 m 57.46 -150.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 58.67 39.93 23.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.36 -40.99 88.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.405 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.01 92.78 1.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p -67.66 -32.35 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.404 ' O ' ' OG1' ' A' ' 17' ' ' THR . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 13' ' ' GLN . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.533 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 83' ' ' GLY . 0.9 OUTLIER -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.441 ' OG ' ' OH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' CD1' ' C ' ' A' ' 75' ' ' LEU . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.442 ' O ' ' OE1' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 100' ' ' THR . 54.7 mm-40 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 152.51 75.87 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.813 2.342 . . . . 0.0 112.068 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.03 144.89 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.266 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.91 -149.67 6.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' CYS . 90.9 p -60.6 -35.5 76.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.346 . . . . 0.0 110.594 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 0' ' ' SER . 65.5 m 49.17 98.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 93.1 m-20 -66.78 140.76 57.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -141.98 143.77 33.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 20.28 61.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p -64.4 -32.86 74.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.562 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.469 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.603 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.494 ' NE2' ' C ' ' A' ' 5' ' ' THR . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.569 ' HG1' ' N ' ' A' ' 81' ' ' SER . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.569 ' N ' ' HG1' ' A' ' 80' ' ' THR . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.603 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.573 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.466 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' N ' ' OE1' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . 0.466 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.3 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.4 -18.29 43.97 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.564 2.176 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 132.35 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.329 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -178.56 20.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 70.1 m -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 0' ' ' SER . 14.1 p 42.16 32.97 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -82.42 -180.0 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -137.82 156.53 47.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.16 139.98 0.1 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p -67.7 -36.19 80.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.586 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' CA ' ' HZ2' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.555 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' C ' HD21 ' A' ' 34' ' ' ASN . 0.4 OUTLIER -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' OE1' ' CB ' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.511 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.488 ' NE2' ' C ' ' A' ' 5' ' ' THR . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.401 ' O ' ' OG ' ' A' ' 81' ' ' SER . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.479 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.468 ' HZ2' ' CA ' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.46 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.1 147.4 90.59 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.743 2.296 . . . . 0.0 112.102 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.01 144.56 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.29 147.49 50.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 2' ' ' ASP . 29.5 p -155.6 163.02 40.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.6 m 47.92 19.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 0' ' ' SER . 99.0 m-20 -62.09 -44.4 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -162.86 -140.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 123.7 8.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p -71.48 -23.06 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.582 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.546 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' OD1' ' O ' ' A' ' 57' ' ' GLY . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 45' ' ' GLN . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.439 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.439 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 10.6 p30 -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 99' ' ' PHE . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 28' ' ' LEU . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' HA ' ' A' ' 86' ' ' PRO . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.419 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.431 HH11 ' HB1' ' A' ' 76' ' ' ALA . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.759 HD11 HD11 ' A' ' 75' ' ' LEU . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.599 ' CE1' HD22 ' A' ' 91' ' ' LEU . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HA ' HH21 ' A' ' 35' ' ' ARG . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 78' ' ' TYR . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.43 HH21 HD11 ' A' ' 91' ' ' LEU . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 19' ' ' ILE . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 106' ' ' ILE . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 87' ' ' ILE . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.59 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.56 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.56 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.616 ' SD ' HG23 ' A' ' 15' ' ' THR . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 95' ' ' LEU . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 26' ' ' ILE . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 75' ' ' LEU . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.428 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 2.4 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.489 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.53 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 5.7 p30 -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.768 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG22 HD12 ' A' ' 22' ' ' LEU . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 15' ' ' THR . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 18' ' ' VAL . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.841 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 26' ' ' ILE . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.584 HH21 HG23 ' A' ' 80' ' ' THR . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' A' ' 7' ' ' LEU . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.629 HG23 ' HB3' ' A' ' 72' ' ' LEU . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.549 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 66' ' ' THR . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 62' ' ' LEU . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.768 ' SD ' HG23 ' A' ' 15' ' ' THR . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 36.9 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 46' ' ' ILE . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.479 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.584 HG23 HH21 ' A' ' 43' ' ' ARG . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HH21 ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' HG ' HD23 ' A' ' 95' ' ' LEU . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 91' ' ' LEU . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 91' ' ' LEU . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.459 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.508 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.508 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 6.0 p30 -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.561 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' HG3' ' A' ' 92' ' ' LYS . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 32' ' ' ALA . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.657 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.708 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 28' ' ' LEU . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 7' ' ' LEU . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.669 ' HB3' HG23 ' A' ' 46' ' ' ILE . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 HD22 ' A' ' 95' ' ' LEU . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HG3' HD12 ' A' ' 26' ' ' ILE . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD22 HD23 ' A' ' 75' ' ' LEU . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.424 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.424 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' A' ' 15' ' ' THR . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 10.9 p30 -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 106' ' ' ILE . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.69 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 28' ' ' LEU . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.674 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.531 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 72' ' ' LEU . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.568 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.527 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.531 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.468 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 82' ' ' TYR . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.542 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.69 ' HG3' HD12 ' A' ' 26' ' ' ILE . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 19' ' ' ILE . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.3 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.565 ' NH1' HG12 ' A' ' 110' ' ' VAL . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.565 HG12 ' NH1' ' A' ' 108' ' ' ARG . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.494 ' ND2' ' CD ' ' A' ' 13' ' ' GLN . 12.3 p30 -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.494 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 30.6 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.536 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 99' ' ' PHE . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.845 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 87' ' ' ILE . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.533 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 75' ' ' LEU . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 39.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 46' ' ' ILE . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.437 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 HG22 ' A' ' 26' ' ' ILE . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.426 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 4.9 p30 -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 106' ' ' ILE . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 87' ' ' ILE . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.665 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.643 ' NE2' ' HB2' ' A' ' 84' ' ' ALA . 32.1 mm-40 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 66' ' ' THR . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 62' ' ' LEU . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 38.7 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 91' ' ' LEU . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 26' ' ' ILE . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' OE1' ' A' ' 98' ' ' GLU . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 45' ' ' GLN . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.459 ' CG2' ' ND2' ' A' ' 10' ' ' ASN . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' ' 8' ' ' THR . 16.0 p30 -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.587 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 15' ' ' THR . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' LEU . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' A' ' 58' ' ' ASP . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.587 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 75' ' ' LEU . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.7 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.515 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD21 ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.464 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.464 ' OD1' ' OG1' ' A' ' 8' ' ' THR . 13.6 p30 -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.541 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG22 HD12 ' A' ' 22' ' ' LEU . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 18' ' ' VAL . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.829 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 87' ' ' ILE . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 38' ' ' VAL . 10.7 p30 -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 95' ' ' LEU . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.51 HG23 HD23 ' A' ' 91' ' ' LEU . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 HG23 ' A' ' 87' ' ' ILE . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.435 HH21 HD11 ' A' ' 91' ' ' LEU . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 75' ' ' LEU . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.541 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.441 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.441 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 6.4 p30 -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 106' ' ' ILE . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 99' ' ' PHE . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.514 HG22 HD12 ' A' ' 87' ' ' ILE . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.662 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 38' ' ' VAL . 7.7 p30 -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.574 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 46' ' ' ILE . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' HD22 ' A' ' 91' ' ' LEU . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 26' ' ' ILE . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 78' ' ' TYR . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 12' ' ' SER . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.417 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 9.0 p30 -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.516 ' CB ' HD11 ' A' ' 106' ' ' ILE . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 87' ' ' ILE . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.645 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.542 HH22 ' HB1' ' A' ' 84' ' ' ALA . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 72' ' ' LEU . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 46' ' ' ILE . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE2' HD22 ' A' ' 91' ' ' LEU . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB1' HH22 ' A' ' 35' ' ' ARG . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 26' ' ' ILE . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.704 HD12 HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.704 HH21 HD12 ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.413 ' CG2' HH21 ' A' ' 104' ' ' ARG . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.413 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 15' ' ' THR . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.496 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.496 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 6.6 p30 -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.861 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.666 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.675 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 95' ' ' LEU . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' LEU . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.492 HD23 ' OE1' ' A' ' 98' ' ' GLU . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.492 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.439 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.439 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 8.0 p30 -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' SD ' ' A' ' 68' ' ' MET . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.654 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 38' ' ' VAL . 8.1 p30 -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.508 ' OE1' HD21 ' A' ' 7' ' ' LEU . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.55 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.55 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.623 ' SD ' HG23 ' A' ' 15' ' ' THR . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.648 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 95' ' ' LEU . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 83' ' ' GLY . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 75' ' ' LEU . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 4.9 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.426 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.426 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 6.3 p30 -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.808 HG23 ' SD ' ' A' ' 68' ' ' MET . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.66 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.462 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 7' ' ' LEU . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 62' ' ' LEU . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.808 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 40.4 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' HG23 ' A' ' 46' ' ' ILE . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 HD23 HD22 ' A' ' 95' ' ' LEU . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' HH21 ' A' ' 35' ' ' ARG . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 87' ' ' ILE . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.462 HD22 HD23 ' A' ' 75' ' ' LEU . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 19' ' ' ILE . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.532 HD21 ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 10.0 p30 -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 99' ' ' PHE . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 HD11 ' A' ' 46' ' ' ILE . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 34' ' ' ASN . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 78' ' ' TYR . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 91' ' ' LEU . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 75' ' ' LEU . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 19' ' ' ILE . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD21 ' OE1' ' A' ' 45' ' ' GLN . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.437 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 13.6 p30 -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.407 ' HB3' HD22 ' A' ' 10' ' ' ASN . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' OH ' ' A' ' 53' ' ' TYR . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' ' 106' ' ' ILE . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.84 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.55 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' OE1' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' HD22 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 69' ' ' GLN . 11.0 m120 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 75' ' ' LEU . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 19' ' ' ILE . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.453 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 45' ' ' GLN . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.457 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 8.7 p30 -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 106' ' ' ILE . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.655 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.61 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 83' ' ' GLY . 28.8 mm-40 -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 28' ' ' LEU . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 75' ' ' LEU . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.538 ' HG ' ' HH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.592 ' O ' ' NE2' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 26' ' ' ILE . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.655 ' HG3' HD12 ' A' ' 26' ' ' ILE . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.454 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.552 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 5.2 p30 -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.615 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 87' ' ' ILE . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.634 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.501 ' OE1' HD21 ' A' ' 7' ' ' LEU . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 75' ' ' LEU . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.615 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 HD11 ' A' ' 46' ' ' ILE . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.634 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 26' ' ' ILE . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.498 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.498 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 9.8 p30 -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 99' ' ' PHE . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.799 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' HB2' ' HZ1' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.594 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 72' ' ' LEU . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' MET . . . . . 0.78 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 46' ' ' ILE . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.402 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.483 ' HZ1' ' HB2' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.476 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.414 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 10.1 p30 -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.773 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD11 ' A' ' 75' ' ' LEU . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' HG23 ' A' ' 5' ' ' THR . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.654 HD11 HD11 ' A' ' 46' ' ' ILE . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.41 ' H ' HG22 ' A' ' 80' ' ' THR . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 87' ' ' ILE . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 78' ' ' TYR . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.503 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.434 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -66.57 -19.66 54.22 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.66 2.24 . . . . 0.0 111.96 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' -2' ' ' LEU . 10.5 mp -77.04 139.14 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.222 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 160.4 104.17 0.19 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.1 p -77.29 161.0 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.47 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m -64.12 -38.85 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 3' ' ' SER . 51.7 t0 -70.1 154.09 42.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.462 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 13.6 p -132.3 128.75 38.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.349 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 117.23 3.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p -65.82 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 45' ' ' GLN . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.439 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 10.6 p30 -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 99' ' ' PHE . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 28' ' ' LEU . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' HA ' ' A' ' 86' ' ' PRO . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.419 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 HH11 ' HB1' ' A' ' 76' ' ' ALA . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.759 HD11 HD11 ' A' ' 75' ' ' LEU . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.599 ' CE1' HD22 ' A' ' 91' ' ' LEU . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HA ' HH21 ' A' ' 35' ' ' ARG . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 78' ' ' TYR . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.43 HH21 HD11 ' A' ' 91' ' ' LEU . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 19' ' ' ILE . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 60.8 Cg_endo -69.48 151.46 70.64 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.793 2.329 . . . . 0.0 111.905 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.1 147.31 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.52 -68.88 0.48 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.1 m -72.08 144.15 48.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.0 m -99.68 132.07 45.26 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' GLY . 97.1 m-20 -72.05 -17.44 62.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p 65.84 -2.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 2' ' ' ASP . . . 50.71 61.26 6.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p -65.34 -34.53 78.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 106' ' ' ILE . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 87' ' ' ILE . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.59 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.56 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.56 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.616 ' SD ' HG23 ' A' ' 15' ' ' THR . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 95' ' ' LEU . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 26' ' ' ILE . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 75' ' ' LEU . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 2.4 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.32 144.93 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.728 2.286 . . . . 0.0 112.102 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' -2' ' ' LEU . 9.6 mp -78.58 148.22 33.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.53 -169.28 22.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -60.69 -43.63 97.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.682 0.277 . . . . 0.0 110.656 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m 40.81 64.91 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -89.51 0.16 57.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.589 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -72.07 97.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 131.78 1.27 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p -66.43 -31.74 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.489 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.53 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 5.7 p30 -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.768 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG22 HD12 ' A' ' 22' ' ' LEU . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 15' ' ' THR . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 18' ' ' VAL . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.841 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 26' ' ' ILE . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.584 HH21 HG23 ' A' ' 80' ' ' THR . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' A' ' 7' ' ' LEU . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.629 HG23 ' HB3' ' A' ' 72' ' ' LEU . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.549 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 66' ' ' THR . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 62' ' ' LEU . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.768 ' SD ' HG23 ' A' ' 15' ' ' THR . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 36.9 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 46' ' ' ILE . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.479 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.584 HG23 HH21 ' A' ' 43' ' ' ARG . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HH21 ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' HG ' HD23 ' A' ' 95' ' ' LEU . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 91' ' ' LEU . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 91' ' ' LEU . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.459 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.41 145.4 98.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.714 2.276 . . . . 0.0 111.971 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.65 128.43 35.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.182 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.32 -4.51 2.03 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.3 t -65.93 142.63 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.0 t -148.8 158.31 44.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.76 141.1 55.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' GLY . 14.0 p -62.84 -97.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 58.66 117.35 0.01 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p -65.58 -31.5 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.508 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.508 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 6.0 p30 -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.561 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' HG3' ' A' ' 92' ' ' LYS . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 32' ' ' ALA . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.657 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.708 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 28' ' ' LEU . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 7' ' ' LEU . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.669 ' HB3' HG23 ' A' ' 46' ' ' ILE . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 HD22 ' A' ' 95' ' ' LEU . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HG3' HD12 ' A' ' 26' ' ' ILE . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD22 HD23 ' A' ' 75' ' ' LEU . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.424 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.424 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' A' ' 15' ' ' THR . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -65.66 -23.74 56.14 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.658 2.239 . . . . 0.0 111.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -42.28 99.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.55 160.52 53.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.2 m -72.23 142.11 48.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.788 0.328 . . . . 0.0 110.664 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.24 -46.71 15.78 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 40.1 p-10 -95.8 118.73 33.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -82.85 131.13 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.386 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 69.35 1.39 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p -65.37 -32.51 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 10.9 p30 -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 106' ' ' ILE . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.69 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 28' ' ' LEU . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.674 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.531 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 72' ' ' LEU . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.568 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.531 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.468 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 82' ' ' TYR . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.542 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.69 ' HG3' HD12 ' A' ' 26' ' ' ILE . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 19' ' ' ILE . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.413 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.3 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.565 ' NH1' HG12 ' A' ' 110' ' ' VAL . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.565 HG12 ' NH1' ' A' ' 108' ' ' ARG . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.35 -18.86 50.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.796 2.331 . . . . 0.0 112.06 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.6 mt -95.28 132.23 40.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.69 23.94 68.67 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.8 t -137.28 143.03 41.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.0 m -98.59 159.46 14.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -144.99 168.56 19.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -102.9 121.53 42.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 50.38 176.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p -67.14 -30.13 70.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.43 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.494 ' ND2' ' CD ' ' A' ' 13' ' ' GLN . 12.3 p30 -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.494 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 30.6 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.536 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 99' ' ' PHE . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.845 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 87' ' ' ILE . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.533 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 75' ' ' LEU . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 39.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 46' ' ' ILE . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.437 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 HG22 ' A' ' 26' ' ' ILE . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.426 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.9 Cg_exo -60.11 144.55 99.47 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.731 2.287 . . . . 0.0 111.878 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -83.82 139.36 32.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.584 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.39 -15.97 80.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.7 t 56.71 167.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.483 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.5 t -73.12 128.87 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.447 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 133.38 56.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.18 153.21 24.66 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p -67.84 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 4.9 p30 -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 106' ' ' ILE . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 87' ' ' ILE . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.665 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.643 ' NE2' ' HB2' ' A' ' 84' ' ' ALA . 32.1 mm-40 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 66' ' ' THR . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 62' ' ' LEU . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 38.7 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 91' ' ' LEU . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.643 ' HB2' ' NE2' ' A' ' 36' ' ' GLN . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 26' ' ' ILE . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' OE1' ' A' ' 98' ' ' GLU . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 154.2 63.64 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.867 2.378 . . . . 0.0 111.91 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.8 mt -96.07 134.89 38.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.083 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.33 73.61 0.96 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.5 t -64.94 146.41 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.27 90.35 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -138.9 -24.26 0.91 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.517 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.53 -172.74 53.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p -66.45 -34.42 77.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 45' ' ' GLN . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.459 ' CG2' ' ND2' ' A' ' 10' ' ' ASN . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' ' 8' ' ' THR . 16.0 p30 -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.587 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 15' ' ' THR . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' LEU . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' A' ' 58' ' ' ASP . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.587 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 75' ' ' LEU . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.429 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.429 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 3.7 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.515 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.65 152.46 74.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.822 2.348 . . . . 0.0 112.065 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.421 HD11 ' OE1' ' A' ' 37' ' ' GLU . 49.6 tp -62.7 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.368 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 140.63 156.02 6.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 m -71.65 149.97 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.73 0.3 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.19 102.68 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -81.17 142.27 33.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.12 137.1 57.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.6 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.08 148.94 0.06 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p -67.03 -31.65 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD21 ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.464 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' OD1' ' OG1' ' A' ' 8' ' ' THR . 13.6 p30 -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CD ' ' ND2' ' A' ' 10' ' ' ASN . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.541 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG22 HD12 ' A' ' 22' ' ' LEU . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 18' ' ' VAL . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.829 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 87' ' ' ILE . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 38' ' ' VAL . 10.7 p30 -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' OE1' HD11 ' A' ' -2' ' ' LEU . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 95' ' ' LEU . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.51 HG23 HD23 ' A' ' 91' ' ' LEU . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 HG23 ' A' ' 87' ' ' ILE . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.435 HH21 HD11 ' A' ' 91' ' ' LEU . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 75' ' ' LEU . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.541 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.97 -19.5 51.95 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.72 2.28 . . . . 0.0 111.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' -2' ' ' LEU . 10.4 mp -75.24 143.68 42.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.32 -162.15 23.23 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.0 t 57.65 60.15 2.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.1 t -85.12 131.6 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.42 146.85 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -152.18 150.04 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.498 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 174.4 45.28 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p -66.37 -35.9 81.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.441 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.441 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 6.4 p30 -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 106' ' ' ILE . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 99' ' ' PHE . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.514 HG22 HD12 ' A' ' 87' ' ' ILE . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.662 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 38' ' ' VAL . 7.7 p30 -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.574 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 46' ' ' ILE . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' HD22 ' A' ' 91' ' ' LEU . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 26' ' ' ILE . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 78' ' ' TYR . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 12' ' ' SER . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' -1' ' ' GLY . 37.6 Cg_endo -65.1 -29.19 56.56 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.711 2.274 . . . . 0.0 111.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.9 mt 55.12 4.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . -94.31 -4.63 62.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 t -61.36 -44.07 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.696 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 m 40.37 49.38 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.97 140.74 57.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -103.87 144.27 31.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 92.23 1.75 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p -66.04 -29.37 69.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 9.0 p30 -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.516 ' CB ' HD11 ' A' ' 106' ' ' ILE . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 87' ' ' ILE . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.645 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.542 HH22 ' HB1' ' A' ' 84' ' ' ALA . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 72' ' ' LEU . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 46' ' ' ILE . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE2' HD22 ' A' ' 91' ' ' LEU . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB1' HH22 ' A' ' 35' ' ' ARG . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 26' ' ' ILE . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.704 HD12 HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.704 HH21 HD12 ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.413 ' CG2' HH21 ' A' ' 104' ' ' ARG . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.413 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 15' ' ' THR . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.39 155.53 63.65 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 123.008 2.472 . . . . 0.0 112.07 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.65 -43.03 97.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.489 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.42 15.16 81.74 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.2 m -80.5 -7.3 59.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m -84.19 69.09 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.35 41.76 3.41 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.519 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -60.19 -39.39 86.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.01 -162.57 48.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p -65.14 -30.68 71.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.496 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.496 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 6.6 p30 -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.861 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.666 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.675 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 95' ' ' LEU . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' LEU . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.492 HD23 ' OE1' ' A' ' 98' ' ' GLU . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.492 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' -1' ' ' GLY . 55.6 Cg_endo -69.34 -20.75 36.42 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.679 2.253 . . . . 0.0 112.061 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.3 mt 58.1 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 82.79 14.68 74.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 88.6 p -75.9 160.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.709 0.29 . . . . 0.0 110.47 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p -83.58 114.55 21.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -43.52 98.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 54.05 81.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.01 112.17 0.32 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p -66.41 -31.12 71.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.439 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.439 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 8.0 p30 -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' SD ' ' A' ' 68' ' ' MET . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.654 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 38' ' ' VAL . 8.1 p30 -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.508 ' OE1' HD21 ' A' ' 7' ' ' LEU . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.55 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.55 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.623 ' SD ' HG23 ' A' ' 15' ' ' THR . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.648 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 95' ' ' LEU . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 83' ' ' GLY . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 75' ' ' LEU . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' OE1' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' A' ' 97' ' ' LEU . 4.9 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.91 -18.78 46.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.698 2.266 . . . . 0.0 111.804 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' -1' ' ' GLY . 0.3 OUTLIER -93.66 1.12 56.7 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 -179.729 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' -2' ' ' LEU . . . -61.67 -43.41 99.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.4 t 51.14 64.53 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p -165.38 43.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.581 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.9 p-10 -71.38 144.71 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -151.34 130.25 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 110.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p -64.21 -40.5 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.426 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.426 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 6.3 p30 -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.808 HG23 ' SD ' ' A' ' 68' ' ' MET . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.66 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.462 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 7' ' ' LEU . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 62' ' ' LEU . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.808 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 40.4 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' HG23 ' A' ' 46' ' ' ILE . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD23 HD22 ' A' ' 95' ' ' LEU . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' HH21 ' A' ' 35' ' ' ARG . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 87' ' ' ILE . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.462 HD22 HD23 ' A' ' 75' ' ' LEU . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 19' ' ' ILE . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 27.8 Cg_exo -60.47 146.49 96.72 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.774 2.316 . . . . 0.0 111.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.64 148.11 46.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.468 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.94 14.51 74.99 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -73.12 148.84 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.326 . . . . 0.0 110.288 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.0 m 41.09 86.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.77 -2.06 49.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -59.45 136.44 57.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.245 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p -64.84 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 HD21 ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.436 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 10.0 p30 -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 99' ' ' PHE . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 HD11 ' A' ' 46' ' ' ILE . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 34' ' ' ASN . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 78' ' ' TYR . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 91' ' ' LEU . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 75' ' ' LEU . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 19' ' ' ILE . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.1 -36.63 77.44 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.711 2.274 . . . . 0.0 111.986 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.56 130.62 45.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.78 49.71 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 m -59.51 -42.63 92.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 40.3 t 40.39 32.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.15 86.58 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.416 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -72.32 140.25 48.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.36 106.88 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p -65.42 -28.79 69.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD21 ' OE1' ' A' ' 45' ' ' GLN . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.437 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.437 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 13.6 p30 -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' HB3' HD22 ' A' ' 10' ' ' ASN . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' OD2' ' OH ' ' A' ' 53' ' ' TYR . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' ' 106' ' ' ILE . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.55 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' OE1' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' HD22 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 69' ' ' GLN . 11.0 m120 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 75' ' ' LEU . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 19' ' ' ILE . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.453 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -59.92 146.69 95.23 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.841 2.361 . . . . 0.0 112.06 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.99 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.319 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.56 22.57 53.38 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.2 t -61.72 145.11 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.4 m 57.46 -150.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 58.67 39.93 23.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.36 -40.99 88.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.405 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.01 92.78 1.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p -67.66 -32.35 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 45' ' ' GLN . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.457 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.457 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 8.7 p30 -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 106' ' ' ILE . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.655 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.61 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.592 ' NE2' ' O ' ' A' ' 83' ' ' GLY . 28.8 mm-40 -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 28' ' ' LEU . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 75' ' ' LEU . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.508 ' HG ' ' HH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.592 ' O ' ' NE2' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 26' ' ' ILE . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.655 ' HG3' HD12 ' A' ' 26' ' ' ILE . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.454 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 152.51 75.87 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.813 2.342 . . . . 0.0 112.068 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.03 144.89 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.266 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.91 -149.67 6.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' CYS . 90.9 p -60.6 -35.5 76.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.346 . . . . 0.0 110.594 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 0' ' ' SER . 65.5 m 49.17 98.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 93.1 m-20 -66.78 140.76 57.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -141.98 143.77 33.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 20.28 61.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p -64.4 -32.86 74.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.552 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 5.2 p30 -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.615 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 87' ' ' ILE . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.634 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.501 ' OE1' HD21 ' A' ' 7' ' ' LEU . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 75' ' ' LEU . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.615 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 HD11 ' A' ' 46' ' ' ILE . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.634 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 26' ' ' ILE . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.4 -18.29 43.97 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.564 2.176 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' LEU . . . . . 0.539 ' H ' HD23 ' A' ' -2' ' ' LEU . 0.1 OUTLIER -79.31 132.35 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -178.56 20.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 70.1 m -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 0' ' ' SER . 14.1 p 42.16 32.97 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -82.42 -180.0 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -137.82 156.53 47.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.16 139.98 0.1 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p -67.7 -36.19 80.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.498 ' HG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.498 ' CG ' ' HG1' ' A' ' 8' ' ' THR . 9.8 p30 -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 99' ' ' PHE . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.799 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' HB2' ' HZ1' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.594 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 72' ' ' LEU . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' MET . . . . . 0.78 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 46' ' ' ILE . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.483 ' HZ1' ' HB2' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.476 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.1 147.4 90.59 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.743 2.296 . . . . 0.0 112.102 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.01 144.56 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.29 147.49 50.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 2' ' ' ASP . 29.5 p -155.6 163.02 40.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.6 m 47.92 19.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 0' ' ' SER . 99.0 m-20 -62.09 -44.4 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -162.86 -140.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 123.7 8.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p -71.48 -23.06 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.414 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.414 ' CG ' ' OG1' ' A' ' 8' ' ' THR . 10.1 p30 -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.773 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD11 ' A' ' 75' ' ' LEU . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' HG23 ' A' ' 5' ' ' THR . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.654 HD11 HD11 ' A' ' 46' ' ' ILE . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.41 ' H ' HG22 ' A' ' 80' ' ' THR . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 87' ' ' ILE . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 78' ' ' TYR . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.503 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 45' ' ' GLN . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.574 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.442 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 99' ' ' PHE . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 28' ' ' LEU . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' HA ' ' A' ' 86' ' ' PRO . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.419 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.431 HH11 ' HB1' ' A' ' 76' ' ' ALA . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.759 HD11 HD11 ' A' ' 75' ' ' LEU . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.599 ' CE1' HD22 ' A' ' 91' ' ' LEU . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HA ' HH21 ' A' ' 35' ' ' ARG . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 78' ' ' TYR . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.43 HH21 HD11 ' A' ' 91' ' ' LEU . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.537 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 19' ' ' ILE . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.537 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.581 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 106' ' ' ILE . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 87' ' ' ILE . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.59 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.56 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.56 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.616 ' SD ' HG23 ' A' ' 15' ' ' THR . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 95' ' ' LEU . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 26' ' ' ILE . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 75' ' ' LEU . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.7 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.489 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.628 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.768 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG22 HD12 ' A' ' 22' ' ' LEU . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 15' ' ' THR . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 18' ' ' VAL . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.841 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 26' ' ' ILE . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.584 HH21 HG23 ' A' ' 80' ' ' THR . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' A' ' 7' ' ' LEU . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.629 HG23 ' HB3' ' A' ' 72' ' ' LEU . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.549 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.549 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 66' ' ' THR . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 62' ' ' LEU . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.768 ' SD ' HG23 ' A' ' 15' ' ' THR . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.5 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 46' ' ' ILE . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.479 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.584 HG23 HH21 ' A' ' 43' ' ' ARG . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HH21 ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' HG ' HD23 ' A' ' 95' ' ' LEU . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 91' ' ' LEU . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 91' ' ' LEU . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.459 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.561 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.723 HD11 HE21 ' A' ' 96' ' ' GLN . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 32' ' ' ALA . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.657 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.708 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.512 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 28' ' ' LEU . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 7' ' ' LEU . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.669 ' HB3' HG23 ' A' ' 46' ' ' ILE . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 HD22 ' A' ' 95' ' ' LEU . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HG3' HD12 ' A' ' 26' ' ' ILE . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.464 HD22 HD23 ' A' ' 75' ' ' LEU . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.723 HE21 HD11 ' A' ' 26' ' ' ILE . 45.2 mm-40 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.527 ' C ' HE21 ' A' ' 101' ' ' GLN . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.424 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.527 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.8 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.424 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' A' ' 15' ' ' THR . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.647 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 106' ' ' ILE . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.762 HD11 HE21 ' A' ' 96' ' ' GLN . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 28' ' ' LEU . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.674 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.531 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 72' ' ' LEU . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.568 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.527 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.531 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.468 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 82' ' ' TYR . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.542 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.69 ' HG3' HD12 ' A' ' 26' ' ' ILE . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.762 HE21 HD11 ' A' ' 26' ' ' ILE . 32.2 mm-40 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 19' ' ' ILE . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.9 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.565 ' NH1' HG12 ' A' ' 110' ' ' VAL . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.565 HG12 ' NH1' ' A' ' 108' ' ' ARG . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.604 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.536 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 99' ' ' PHE . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.845 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 87' ' ' ILE . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.533 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 75' ' ' LEU . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 46' ' ' ILE . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.437 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 HG22 ' A' ' 26' ' ' ILE . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.53 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.426 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.53 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.685 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 106' ' ' ILE . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 87' ' ' ILE . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.665 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.446 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 1.1 mm100 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 66' ' ' THR . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 62' ' ' LEU . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 91' ' ' LEU . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 26' ' ' ILE . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' OE1' ' A' ' 98' ' ' GLU . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.507 ' C ' HE21 ' A' ' 101' ' ' GLN . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.507 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.2 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 45' ' ' GLN . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.587 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 15' ' ' THR . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' LEU . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' A' ' 58' ' ' ASP . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.587 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 75' ' ' LEU . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.0 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.515 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD21 ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.62 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.62 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.541 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG22 HD12 ' A' ' 22' ' ' LEU . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 18' ' ' VAL . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.829 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 87' ' ' ILE . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.531 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 95' ' ' LEU . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.51 HG23 HD23 ' A' ' 91' ' ' LEU . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 HG23 ' A' ' 87' ' ' ILE . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.435 HH21 HD11 ' A' ' 91' ' ' LEU . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 75' ' ' LEU . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' C ' HE21 ' A' ' 101' ' ' GLN . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.502 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.541 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.658 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 106' ' ' ILE . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 99' ' ' PHE . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.514 HG22 HD12 ' A' ' 87' ' ' ILE . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.662 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.574 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 46' ' ' ILE . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' HD22 ' A' ' 91' ' ' LEU . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.574 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 26' ' ' ILE . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 78' ' ' TYR . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.498 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.498 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.9 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 12' ' ' SER . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.417 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.428 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.516 ' CB ' HD11 ' A' ' 106' ' ' ILE . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 87' ' ' ILE . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.645 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.542 HH22 ' HB1' ' A' ' 84' ' ' ALA . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 72' ' ' LEU . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 46' ' ' ILE . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE2' HD22 ' A' ' 91' ' ' LEU . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB1' HH22 ' A' ' 35' ' ' ARG . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 26' ' ' ILE . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.704 HD12 HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.704 HH21 HD12 ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.573 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.413 ' CG2' HH21 ' A' ' 104' ' ' ARG . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.573 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.413 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 15' ' ' THR . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.683 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.861 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.666 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.675 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 95' ' ' LEU . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' LEU . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.492 HD23 ' OE1' ' A' ' 98' ' ' GLU . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.513 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.492 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.3 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.622 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' SD ' ' A' ' 68' ' ' MET . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.654 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.547 HE22 ' C ' ' A' ' 84' ' ' ALA . 68.7 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.508 ' OE1' HD21 ' A' ' 7' ' ' LEU . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.55 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.55 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.623 ' SD ' HG23 ' A' ' 15' ' ' THR . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.648 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 95' ' ' LEU . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.547 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 75' ' ' LEU . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.2 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.681 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.808 HG23 ' SD ' ' A' ' 68' ' ' MET . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.66 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.462 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 7' ' ' LEU . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 62' ' ' LEU . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.808 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' HG23 ' A' ' 46' ' ' ILE . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 HD23 HD22 ' A' ' 95' ' ' LEU . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' HH21 ' A' ' 35' ' ' ARG . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 87' ' ' ILE . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.462 HD22 HD23 ' A' ' 75' ' ' LEU . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 19' ' ' ILE . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.532 HD21 ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.677 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 99' ' ' PHE . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 HD11 ' A' ' 46' ' ' ILE . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 34' ' ' ASN . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.437 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 78' ' ' TYR . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 91' ' ' LEU . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 75' ' ' LEU . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 19' ' ' ILE . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD21 ' OE1' ' A' ' 45' ' ' GLN . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.689 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' ' 106' ' ' ILE . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.84 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.55 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' OE1' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' HD22 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.2 m-20 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 75' ' ' LEU . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.539 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.539 HE21 ' C ' ' A' ' 97' ' ' LEU . 29.3 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 19' ' ' ILE . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.453 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 45' ' ' GLN . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.65 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 106' ' ' ILE . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.655 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.61 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 83' ' ' GLY . 0.9 OUTLIER -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 28' ' ' LEU . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 75' ' ' LEU . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.538 ' HG ' ' HH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.442 ' O ' ' OE1' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 26' ' ' ILE . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.655 ' HG3' HD12 ' A' ' 26' ' ' ILE . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.642 HE21 HD11 ' A' ' 26' ' ' ILE . 54.7 mm-40 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.454 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.627 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.615 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 87' ' ' ILE . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.634 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.501 ' OE1' HD21 ' A' ' 7' ' ' LEU . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 75' ' ' LEU . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.615 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 HD11 ' A' ' 46' ' ' ILE . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.634 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 26' ' ' ILE . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.505 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.505 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.3 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 99' ' ' PHE . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.799 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.483 ' HB2' ' HZ1' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.548 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.4 OUTLIER -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.594 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 72' ' ' LEU . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . 0.78 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 46' ' ' ILE . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.402 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.461 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.483 ' HZ1' ' HB2' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.476 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.637 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.462 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.773 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD11 ' A' ' 75' ' ' LEU . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' HG23 ' A' ' 5' ' ' THR . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.654 HD11 HD11 ' A' ' 46' ' ' ILE . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.41 ' H ' HG22 ' A' ' 80' ' ' THR . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 87' ' ' ILE . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 78' ' ' TYR . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.503 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.434 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.649 -1.381 . . . . 0.0 109.649 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -66.57 -19.66 54.22 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.66 2.24 . . . . 0.0 111.96 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.524 ' N ' HD12 ' A' ' -2' ' ' LEU . 10.5 mp -77.04 139.14 39.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.222 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 160.4 104.17 0.19 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 24.1 p -77.29 161.0 28.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.47 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.2 m -64.12 -38.85 92.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.491 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' OD1' ' N ' ' A' ' 3' ' ' SER . 51.7 t0 -70.1 154.09 42.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.462 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.432 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 13.6 p -132.3 128.75 38.45 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.349 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 117.23 3.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.471 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 74.4 p -65.82 -30.64 71.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.366 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.21 -19.17 0.33 Allowed Glycine 0 CA--C 1.529 0.938 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 HD21 ' OE1' ' A' ' 45' ' ' GLN . 36.9 mt -67.09 144.24 56.21 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -108.76 -3.32 17.87 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.576 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.93 -8.16 61.09 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.574 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.27 114.03 26.44 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 178.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 82.7 t80 -51.96 -34.68 43.22 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.69 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 106' ' ' ILE . 6.9 t -62.41 -58.96 5.76 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -178.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -76.79 -32.57 57.75 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.597 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.442 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.3 m-20 -59.15 -41.84 89.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.61 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -60.75 -45.32 94.77 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.9 tt -66.1 -38.44 88.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.233 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.5 m -60.02 -48.09 83.16 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.026 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.57 -37.05 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.077 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.492 HG23 ' HB3' ' A' ' 99' ' ' PHE . 39.7 mt -65.13 -47.33 88.11 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.129 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.78 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.26 85.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.988 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.6 m -66.67 -44.92 80.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.278 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 40.5 mt -65.05 -43.74 91.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.3 mtt-85 -59.21 -48.42 81.69 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.098 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -71.28 -35.4 71.32 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.815 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.11 -48.72 79.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.053 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -77.13 -17.99 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.893 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -71.57 -38.32 70.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.236 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.815 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -46.05 154.6 0.58 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.568 -178.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.49 144.76 36.68 Favored 'Trans proline' 0 C--N 1.311 -1.403 0 C-N-CA 122.264 1.976 . . . . 0.0 110.645 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.679 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.6 pm0 -62.97 -12.31 24.81 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.689 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 50.5 t0 -91.2 0.06 57.6 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.984 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.58 137.82 96.56 Favored Pre-proline 0 CA--C 1.544 0.713 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.046 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.39 -19.46 25.24 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.157 1.904 . . . . 0.0 111.901 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' HD12 ' A' ' 28' ' ' LEU . 2.1 p-10 -87.28 21.5 2.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.405 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.472 HH21 ' HA ' ' A' ' 86' ' ' PRO . 17.9 tpt85 -59.54 -44.59 93.18 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.25 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 64.8 tp60 -75.05 -40.31 60.42 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -67.35 -44.31 79.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -64.7 -36.09 76.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.676 0.274 . . . . 0.0 110.46 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.419 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 83.8 mt-30 -63.21 -43.41 98.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.438 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.77 -40.59 97.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.451 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.3 m -62.12 -49.48 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.538 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.37 -39.75 94.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.478 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 HH11 ' HB1' ' A' ' 76' ' ' ALA . 14.1 mmm180 -56.86 -36.45 70.06 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.73 -43.44 98.95 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' NE2' ' C ' ' A' ' 5' ' ' THR . 65.9 mm-40 -65.02 -41.08 95.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.766 0.317 . . . . 0.0 110.341 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.759 HD11 HD11 ' A' ' 75' ' ' LEU . 95.0 mt -61.3 -53.87 42.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.36 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -65.72 -43.23 89.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.303 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.83 -40.47 95.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.535 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -58.85 -58.16 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.04 -34.31 50.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.986 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -58.88 -47.69 84.04 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.876 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -74.76 -36.12 62.57 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.954 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 56.8 m-85 -97.32 15.99 21.31 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.094 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -59.78 -45.36 92.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -87.81 3.43 48.28 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.951 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -57.42 -46.36 83.6 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.26 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.37 -5.35 0.03 OUTLIER Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 71.3 m-20 54.38 30.37 12.57 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.84 168.16 0.23 Allowed 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.804 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.85 -1.9 58.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.81 -41.31 0.19 Allowed Glycine 0 N--CA 1.467 0.727 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -106.85 125.37 50.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.861 0.362 . . . . 0.0 110.187 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.19 -42.24 93.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.254 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -60.96 -49.91 75.55 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -63.62 -46.06 87.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.677 0.275 . . . . 0.0 111.329 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 87.5 m -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.965 0.412 . . . . 0.0 110.689 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.4 m -63.79 -45.41 89.83 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.643 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 65.2 mmm -63.52 -42.91 98.44 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.232 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.11 -51.59 30.99 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.328 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.5 m -69.38 -45.08 70.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.897 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.17 -50.13 75.2 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 120.901 -0.32 . . . . 0.0 111.352 -179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 14.0 mt -64.08 -42.28 97.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.906 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 63.5 m-20 -65.03 -41.95 94.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.92 0.39 . . . . 0.0 110.706 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 m -62.19 -50.98 69.66 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.206 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 46' ' ' ILE . 0.4 OUTLIER -67.45 -35.2 78.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.432 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.431 ' HB1' HH11 ' A' ' 43' ' ' ARG . . . -62.52 -37.58 86.62 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -64.93 -33.3 86.87 Favored Glycine 0 CA--C 1.529 0.919 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.426 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.599 ' CE1' HD22 ' A' ' 91' ' ' LEU . 2.7 m-85 -59.22 -47.72 84.27 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 116.842 0.321 . . . . 0.0 110.973 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.488 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 25.7 m-85 -62.06 -47.67 83.63 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.181 -0.607 . . . . 0.0 111.176 -179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.2 p -74.97 -31.8 61.54 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.581 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 77' ' ' GLY . 12.2 t -62.94 -47.33 83.69 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -106.42 -22.99 12.64 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.522 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.471 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 105.82 -127.66 9.05 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -85.18 1.77 46.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.6 0.238 . . . . 0.0 111.268 -179.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -57.59 145.87 67.49 Favored Pre-proline 0 CA--C 1.537 0.48 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.287 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.472 ' HA ' HH21 ' A' ' 35' ' ' ARG . 72.6 Cg_endo -71.16 141.61 39.99 Favored 'Trans proline' 0 N--CA 1.496 1.644 0 C-N-CA 122.61 2.207 . . . . 0.0 112.431 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 79' ' ' TYR . 87.2 mt -65.94 128.12 93.6 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -49.31 153.82 4.38 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 121.144 1.229 . . . . 0.0 112.371 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -64.05 -35.08 79.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.316 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.58 -47.48 85.28 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.4 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD22 ' CE1' ' A' ' 78' ' ' TYR . 6.4 tp -64.95 -41.83 95.15 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.637 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -56.08 -47.02 78.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -62.19 -42.95 99.76 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.687 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.43 HH21 HD11 ' A' ' 91' ' ' LEU . 61.5 ttp180 -66.75 -41.67 87.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.153 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.65 -39.93 93.12 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.611 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.2 mm-40 -52.42 -47.14 66.52 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.098 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.537 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -64.63 -41.36 96.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.623 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.89 -46.6 74.83 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.892 0.377 . . . . 0.0 110.401 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.492 ' HB3' HG23 ' A' ' 19' ' ' ILE . 31.7 m-85 -67.88 -34.46 76.7 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.621 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.41 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 75.3 m -60.63 -44.16 96.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.31 0.576 . . . . 0.0 110.235 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.537 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -65.54 -37.96 88.24 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.493 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.24 -52.09 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.859 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -64.4 -33.04 74.95 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.606 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -64.25 -38.17 90.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.858 0.361 . . . . 0.0 110.169 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -30.86 71.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.821 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.1 mm -62.62 -42.44 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.752 0.31 . . . . 0.0 110.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -51.54 -47.41 63.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.444 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -82.26 -22.17 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.91 0.386 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.418 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 66.85 63.1 4.04 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 13.7 m . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.579 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.413 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.413 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 60.8 Cg_endo -69.48 151.46 70.64 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.793 2.329 . . . . 0.0 111.905 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 77.6 mt -74.1 147.31 42.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.412 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 100.52 -68.88 0.48 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 21.1 m -72.08 144.15 48.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.725 0.298 . . . . 0.0 110.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 33.0 m -99.68 132.07 45.26 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.566 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' GLY . 97.1 m-20 -72.05 -17.44 62.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 p 65.84 -2.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.442 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 2' ' ' ASP . . . 50.71 61.26 6.17 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 75.4 p -65.34 -34.53 78.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.389 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 148.18 -16.8 1.34 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.8 mt -71.58 148.5 46.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.745 0.307 . . . . 0.0 110.384 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' ' 10' ' ' ASN . 2.9 p -115.23 -1.11 13.03 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.822 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 98.85 -4.7 59.4 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.581 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.0 112.38 24.32 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 178.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.631 ' CD2' ' NZ ' ' A' ' 56' ' ' LYS . 51.1 t80 -55.18 -29.69 58.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.323 -178.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.7 t -67.04 -58.15 5.47 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -75.19 -32.53 61.26 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -61.47 -34.47 75.5 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.724 -178.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 106' ' ' ILE . 99.4 m -60.88 -50.49 73.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.54 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.6 pp -74.02 -24.57 59.58 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.936 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.2 m -63.2 -51.02 68.03 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.994 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -67.15 -38.41 81.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.686 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.3 mt -62.13 -46.26 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.522 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.43 86.67 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.45 -0.5 . . . . 0.0 109.97 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -63.88 -43.98 94.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.568 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.4 mt -68.8 -43.63 75.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.961 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -59.63 -47.48 85.44 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.482 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -68.64 -35.57 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.394 -0.523 . . . . 0.0 110.383 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.78 -50.08 73.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.49 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 87' ' ' ILE . 15.4 pt -78.0 -18.65 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.337 -179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -89.54 4.85 47.97 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.64 154.34 73.56 Favored Pre-proline 0 CA--C 1.539 0.532 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.266 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.14 146.28 31.96 Favored 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.524 2.149 . . . . 0.0 110.702 177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.59 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.4 mp0 -63.84 -10.6 21.33 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.532 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -90.2 -2.25 58.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.028 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.11 122.45 84.07 Favored Pre-proline 0 CA--C 1.542 0.635 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.785 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -16.59 22.53 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 121.881 1.721 . . . . 0.0 112.164 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.434 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -96.24 21.22 9.23 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.9 ttp180 -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.31 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 45.3 tp60 -68.08 -32.01 72.03 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.726 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -63.46 -46.78 84.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.364 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -64.65 -33.43 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.499 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -60.99 -48.38 82.11 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.455 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.23 -41.73 96.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.373 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.7 m -62.67 -48.01 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.537 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.53 -41.35 93.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.383 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -43.55 62.27 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.66 -42.25 98.78 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.0 mm-40 -64.11 -41.52 97.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.722 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.68 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.6 mt -61.02 -55.22 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.212 -179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -66.03 -42.24 89.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.198 -178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.56 ' CG ' HH21 ' A' ' 52' ' ' ARG . 58.5 t0 -65.29 -38.25 89.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.397 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -60.27 -57.12 14.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.772 0.32 . . . . 0.0 111.37 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.56 -40.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 120.266 -0.573 . . . . 0.0 111.274 -179.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 t -55.05 -48.54 73.32 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.56 HH21 ' CG ' ' A' ' 48' ' ' ASP . 13.9 ptp180 -71.29 -38.87 71.78 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.274 -0.57 . . . . 0.0 110.699 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 53.5 m-85 -95.68 18.16 13.51 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.3 ttt-85 -67.26 -45.03 77.9 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.101 0.477 . . . . 0.0 110.553 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -81.6 -2.04 48.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.058 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.631 ' NZ ' ' CD2' ' A' ' 11' ' ' TYR . 87.7 tttt -59.69 -47.77 84.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.797 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.98 -8.52 0.03 OUTLIER Glycine 0 CA--C 1.518 0.27 0 N-CA-C 110.626 -0.989 . . . . 0.0 110.626 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.9 t0 54.34 30.59 12.85 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.39 94.76 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.552 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.97 37.49 0.11 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 170.21 -31.5 0.15 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.42 118.25 36.57 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.919 0.39 . . . . 0.0 110.278 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -65.58 -42.04 92.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.566 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.3 t -61.23 -48.58 80.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 111.28 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 36.5 t80 -63.14 -46.61 86.42 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.876 -0.329 . . . . 0.0 111.096 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.2 m -64.27 -47.88 77.85 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.9 m -62.8 -46.05 89.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.684 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.616 ' SD ' HG23 ' A' ' 15' ' ' THR . 93.7 mtp -64.58 -42.36 95.66 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.513 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.1 tt0 -48.95 -55.94 10.34 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.663 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -64.87 -46.05 83.46 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.1 70.36 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.68 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.34 -41.89 98.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.99 0.424 . . . . 0.0 110.313 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.9 m-20 -64.52 -40.49 95.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.499 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 73.2 m -59.44 -55.67 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.765 -178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 HD23 HD22 ' A' ' 95' ' ' LEU . 3.1 pp -70.51 -29.79 66.38 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.099 -179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.64 -29.86 40.28 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.097 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -79.31 -27.63 54.85 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.676 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.4 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 9.6 m-85 -64.09 -39.14 93.41 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.655 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -61.8 -44.03 97.68 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.172 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 16.9 p -87.71 -33.71 18.64 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -61.44 -43.52 98.72 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.133 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -103.31 -23.84 13.56 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.775 0.321 . . . . 0.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.82 -131.53 10.7 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -84.55 35.75 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.669 0.271 . . . . 0.0 111.296 -179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -99.3 146.38 31.65 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.559 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.48 143.59 43.17 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.141 1.894 . . . . 0.0 111.812 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 26' ' ' ILE . 32.0 mt -64.72 137.16 97.05 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.869 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -49.12 148.47 9.74 Favored 'Trans proline' 0 N--CA 1.491 1.38 0 C-N-CA 121.395 1.397 . . . . 0.0 111.868 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.9 -35.86 82.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.432 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.72 -47.73 82.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.867 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.4 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 35.0 tp -68.45 -39.37 81.5 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.156 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -49.15 -44.34 42.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.53 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.573 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -62.75 -43.19 99.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.721 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.426 HD22 HD23 ' A' ' 75' ' ' LEU . 88.2 mt -62.02 -40.98 97.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.143 -179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.44 -48.23 68.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.664 0.269 . . . . 0.0 110.36 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.1 mp -65.39 -43.54 90.34 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.5 mt-10 -52.15 -42.67 63.56 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.742 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.421 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.6 m-85 -69.47 -36.91 77.0 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.601 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.6 m -58.61 -43.27 89.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.006 0.431 . . . . 0.0 109.985 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.7 mp0 -68.19 -32.5 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.737 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.15 -52.38 14.38 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.743 -179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -61.85 -40.97 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.649 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -69.95 -35.57 74.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.194 0.521 . . . . 0.0 109.856 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.8 t -60.86 -26.5 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.285 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.9 mm -62.24 -43.34 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 C-N-CA 120.567 -0.453 . . . . 0.0 109.962 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -63.33 -35.03 79.01 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 57.2 ttm-85 -65.88 -23.86 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.373 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.95 33.99 87.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.093 -0.956 . . . . 0.0 110.769 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.389 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.32 144.93 64.0 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.728 2.286 . . . . 0.0 112.102 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' -2' ' ' LEU . 9.6 mp -78.58 148.22 33.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.344 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -159.53 -169.28 22.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.6 t -60.69 -43.63 97.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.682 0.277 . . . . 0.0 110.656 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m 40.81 64.91 0.87 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.792 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 44.0 p-10 -89.51 0.16 57.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.589 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -72.07 97.31 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.37 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.32 131.78 1.27 Allowed Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.481 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.8 p -66.43 -31.74 72.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.482 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.489 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.42 -20.13 0.27 Allowed Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.524 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.6 mt -66.42 145.21 55.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.425 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -105.44 -6.86 19.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.415 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.16 -2.65 59.71 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.628 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.74 106.31 18.29 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.22 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 5.6 t80 -45.79 -22.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.66 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.6 m -73.59 -61.76 1.72 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -77.01 -30.64 55.92 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.435 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -55.93 -43.32 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.282 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.768 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -59.88 -45.3 92.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.175 0.512 . . . . 0.0 109.974 179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.94 -40.47 96.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.403 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -60.06 -51.11 71.05 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.196 -178.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG22 HD12 ' A' ' 22' ' ' LEU . 7.2 p -65.74 -40.38 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.148 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.489 HD12 HG22 ' A' ' 15' ' ' THR . 33.6 mt -63.01 -47.76 91.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.939 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.89 -45.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.069 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.4 m -64.4 -44.69 90.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.001 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.418 HD12 HG22 ' A' ' 18' ' ' VAL . 39.0 mt -65.14 -43.85 90.54 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.754 -179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.448 ' NH2' ' N ' ' A' ' 100' ' ' THR . 94.0 mtt-85 -59.38 -49.07 79.23 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.308 -179.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.74 -33.94 71.35 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.617 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.841 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -58.48 -48.98 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 26' ' ' ILE . 17.0 pt -77.54 -18.92 14.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.631 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -70.5 -39.1 74.33 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.228 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.841 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -43.8 154.24 0.37 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.074 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -74.65 147.1 35.08 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 122.238 1.959 . . . . 0.0 111.011 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.569 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.8 mp0 -62.44 -20.88 64.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 0.0 110.925 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 53.7 t0 -79.66 -3.63 48.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.08 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.93 132.3 95.44 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -73.05 -16.51 25.49 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 121.88 1.72 . . . . 0.0 111.776 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.419 ' O ' HG12 ' A' ' 38' ' ' VAL . 2.6 p-10 -87.31 20.58 2.74 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.57 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 HH21 ' HA ' ' A' ' 86' ' ' PRO . 15.1 tpt85 -59.15 -44.9 92.1 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.426 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -75.5 -40.19 57.51 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.99 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.8 tp10 -67.71 -44.75 76.94 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.6 p -63.17 -34.4 66.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.83 0.348 . . . . 0.0 110.437 -178.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -64.21 -41.59 96.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.42 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -64.79 -38.28 90.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.423 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.8 m -62.05 -48.53 79.85 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.09 89.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.584 HH21 HG23 ' A' ' 80' ' ' THR . 11.4 mmt180 -51.5 -40.89 60.43 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.32 96.28 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.524 ' OE1' HD21 ' A' ' 7' ' ' LEU . 71.3 mm-40 -64.88 -40.71 95.56 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.542 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.629 HG23 ' HB3' ' A' ' 72' ' ' LEU . 81.8 mt -61.82 -58.16 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.51 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -64.32 -41.7 96.68 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.94 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.549 ' CG ' HH21 ' A' ' 52' ' ' ARG . 68.1 t0 -64.58 -39.33 93.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.256 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -60.52 -57.19 13.8 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 -179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -72.11 -32.62 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.107 -179.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.549 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.9 ptp180 -72.12 -39.34 68.93 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 110.438 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -94.05 16.06 15.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.628 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.1 tpt180 -59.1 -44.6 91.96 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.89 0.376 . . . . 0.0 110.436 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 -80.36 -5.3 56.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.959 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.0 tttp -86.81 86.96 7.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.087 0.47 . . . . 0.0 111.128 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 79.48 -13.37 22.58 Favored Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.0 t0 41.48 22.35 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.932 0.396 . . . . 0.0 110.096 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 72.29 91.12 0.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.738 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.32 39.68 0.03 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 176.07 -25.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 ' O ' HG23 ' A' ' 66' ' ' THR . 7.2 mp -107.32 124.42 49.77 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.6 tptt -64.81 -44.71 89.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.275 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 t -63.67 -50.35 69.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.445 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 23.0 t80 -62.75 -46.73 86.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.78 0.324 . . . . 0.0 110.893 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 62' ' ' LEU . 53.5 p -65.73 -47.74 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.5 m -63.17 -46.55 86.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.768 ' SD ' HG23 ' A' ' 15' ' ' THR . 95.0 mtp -65.22 -39.84 93.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.5 tt0 -50.95 -51.85 48.33 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.399 -0.521 . . . . 0.0 110.66 -179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.9 m -69.9 -44.69 69.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.792 0.33 . . . . 0.0 111.294 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.66 -48.37 79.69 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.045 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.629 ' HB3' HG23 ' A' ' 46' ' ' ILE . 18.6 mt -62.33 -44.2 97.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.002 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.1 m-20 -66.2 -39.82 89.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.827 0.346 . . . . 0.0 111.018 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.8 m -59.38 -46.34 88.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.661 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.645 ' C ' HD12 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -78.44 -31.86 48.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.314 -179.4 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -63.55 -40.05 95.99 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.939 0.4 . . . . 0.0 110.176 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.419 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -69.14 -24.66 75.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -45.6 93.11 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.862 0.363 . . . . 0.0 110.231 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.479 ' O ' ' CA ' ' A' ' 83' ' ' GLY . 21.5 m-85 -61.25 -48.45 81.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.093 -179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.584 HG23 HH21 ' A' ' 43' ' ' ARG . 62.8 p -75.69 -32.97 60.32 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 121.027 -0.269 . . . . 0.0 111.511 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 15.5 t -61.8 -46.19 90.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.572 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -106.54 -21.72 12.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.837 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 79' ' ' TYR . . . 101.58 -122.53 7.6 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -179.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.19 0.86 55.56 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -57.29 132.57 81.12 Favored Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 120.607 -0.437 . . . . 0.0 109.898 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.41 ' HA ' HH21 ' A' ' 35' ' ' ARG . 55.8 Cg_endo -67.47 146.28 73.88 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.514 1.476 . . . . 0.0 111.597 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.41 134.61 95.66 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.014 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -49.33 148.21 10.93 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 121.683 1.589 . . . . 0.0 112.127 178.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.23 -34.7 78.7 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.177 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.25 -48.05 79.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.664 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' HG ' HD23 ' A' ' 95' ' ' LEU . 40.1 tp -67.99 -39.97 83.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -49.82 -45.47 50.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.671 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -61.94 -43.27 99.2 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.626 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.411 ' HE ' ' HA ' ' A' ' 91' ' ' LEU . 87.2 mtm180 -62.49 -41.28 98.7 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.062 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD23 ' HG ' ' A' ' 91' ' ' LEU . 2.7 mm? -62.3 -40.55 96.67 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.952 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -54.53 -48.39 72.02 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.423 -0.511 . . . . 0.0 109.863 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.566 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 10.4 mp -64.98 -42.98 94.08 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.933 179.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -50.78 -44.68 58.8 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.419 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 35.3 m-85 -70.57 -34.02 71.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.448 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 98.8 m -58.62 -43.59 89.69 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.566 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.1 mp0 -67.47 -34.16 76.6 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.365 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.94 -52.8 31.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -61.91 -37.35 84.3 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.397 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.51 -37.74 87.66 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.311 179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.5 m -63.7 -27.69 69.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.459 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -62.83 -42.76 97.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.455 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -51.82 -48.39 63.91 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.525 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -79.54 -20.54 46.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.355 . . . . 0.0 110.519 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 59.76 60.82 8.02 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.703 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -60.41 145.4 98.74 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 C-N-CA 122.714 2.276 . . . . 0.0 111.971 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 48.4 tp -87.65 128.43 35.28 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.182 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 142.32 -4.51 2.03 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 44.3 t -65.93 142.63 57.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.355 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.0 t -148.8 158.31 44.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.448 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -68.76 141.1 55.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.57 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 4' ' ' GLY . 14.0 p -62.84 -97.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.7 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 58.66 117.35 0.01 OUTLIER Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 44.6 p -65.58 -31.5 72.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.428 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 154.54 -19.13 0.6 Allowed Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.517 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.0 mt -66.86 141.04 57.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.2 p -103.82 -6.35 21.5 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.417 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.68 -6.71 57.37 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -90.92 113.58 25.84 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.338 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 23.3 t80 -52.08 -24.28 6.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.167 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -60.11 2.4 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -75.77 -31.35 59.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.484 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 95.7 m-20 -57.82 -42.59 84.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.569 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.561 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.45 -44.3 95.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 tp -64.36 -40.58 96.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.848 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -58.27 -49.95 75.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.34 -38.51 82.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.069 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 38.3 mt -63.44 -47.68 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.931 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.01 -42.82 91.04 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.206 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -66.36 -45.02 81.56 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.001 0.429 . . . . 0.0 111.049 179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.0 mt -66.66 -43.98 83.1 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.36 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -59.25 -48.47 81.49 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.437 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.67 -34.28 73.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.316 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.3 -48.96 77.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.017 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.723 HD11 HE21 ' A' ' 96' ' ' GLN . 48.6 pt -78.27 -22.52 13.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.695 -0.402 . . . . 0.0 111.379 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -69.56 -39.26 77.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.351 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD13 ' HB3' ' A' ' 32' ' ' ALA . 2.0 pp -50.4 143.68 13.14 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.807 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.448 ' C ' ' H ' ' A' ' 31' ' ' ASP . 56.4 Cg_endo -69.43 138.43 38.84 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 122.231 1.954 . . . . 0.0 112.583 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.657 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.5 pm0 -54.56 -8.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.558 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' H ' ' C ' ' A' ' 29' ' ' PRO . 84.9 m-20 -91.12 -4.69 55.98 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.244 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.708 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -75.06 129.8 82.14 Favored Pre-proline 0 CA--C 1.541 0.621 0 C-N-CA 121.11 -0.236 . . . . 0.0 110.86 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -73.64 -15.96 24.13 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.7 1.6 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 14.21 15.12 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.787 -179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -61.22 -43.54 98.71 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.189 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.512 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 66.1 tp60 -69.02 -31.07 69.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.685 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -62.29 -48.81 78.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.794 0.33 . . . . 0.0 111.076 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 28' ' ' LEU . 24.3 m -65.13 -33.31 62.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.845 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -57.18 -45.28 83.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.699 0.285 . . . . 0.0 110.598 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.55 -43.17 97.84 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.411 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -63.19 -45.92 89.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.84 90.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.557 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -50.44 -42.48 54.19 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.44 97.68 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' OE1' HD21 ' A' ' 7' ' ' LEU . 56.5 mm-40 -63.69 -41.85 98.09 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.739 0.304 . . . . 0.0 110.911 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.3 mt -60.51 -53.84 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.782 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -66.56 -44.41 82.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.294 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -62.67 -42.76 99.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -53.3 -65.41 0.57 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.466 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -66.41 -42.1 89.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 120.472 -0.491 . . . . 0.0 111.081 -179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 t -51.28 -48.54 62.2 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.968 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -77.39 -27.28 52.42 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.558 -0.457 . . . . 0.0 111.138 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.3 m-85 -103.28 11.92 36.17 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.302 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.588 ' N ' ' O ' ' A' ' 50' ' ' ILE . 4.4 mmt180 -67.67 -40.72 84.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.959 0.409 . . . . 0.0 110.275 179.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -75.78 -9.7 58.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.782 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 45.1 tttm -61.0 -47.82 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.673 -179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.428 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -169.77 0.11 0.03 OUTLIER Glycine 0 CA--C 1.52 0.397 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 4.7 p-10 44.15 30.36 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.389 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.24 115.9 0.04 OUTLIER 'General case' 0 C--O 1.232 0.172 0 CA-C-O 121.036 0.446 . . . . 0.0 110.488 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 153.8 44.76 0.02 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.36 -22.62 0.16 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.761 ' O ' HG23 ' A' ' 66' ' ' THR . 5.8 mp -113.15 119.23 37.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.069 0.462 . . . . 0.0 109.978 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -64.69 -42.91 94.99 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.05 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -61.94 -50.08 73.59 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -64.58 -46.1 84.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.734 0.302 . . . . 0.0 110.924 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 62' ' ' LEU . 70.1 p -62.23 -48.9 77.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.621 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.5 m -63.53 -45.19 91.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.451 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 72.3 mmm -63.94 -41.3 97.64 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.773 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.55 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -55.05 -54.29 44.97 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.668 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.4 m -64.95 -46.26 82.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.555 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.79 76.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.84 0.353 . . . . 0.0 111.517 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.669 ' HB3' HG23 ' A' ' 46' ' ' ILE . 61.8 mt -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.748 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -65.88 -37.32 85.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.7 m -59.21 -57.28 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.331 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD23 HD22 ' A' ' 95' ' ' LEU . 2.6 pp -70.64 -28.46 64.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.216 -179.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -53.69 -28.69 35.1 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.052 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -82.01 -29.92 36.54 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 13.8 m-85 -61.21 -39.1 88.97 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.87 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -61.26 -44.58 97.01 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.694 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -31.59 16.09 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 40.8 t -59.96 -44.86 94.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.755 0.312 . . . . 0.0 111.09 -179.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -106.21 -22.16 12.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.59 14.58 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -66.5 -6.04 13.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 0.0 110.711 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 38.7 ttt85 -56.28 132.33 75.71 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.072 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.62 148.2 71.7 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.66 1.573 . . . . 0.0 111.422 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.2 mt -62.66 134.39 95.28 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.128 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -49.41 149.07 10.0 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.544 1.496 . . . . 0.0 112.423 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.67 -34.98 79.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.355 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -63.4 -47.79 80.55 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.626 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 10.8 tp -70.86 -37.19 73.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.403 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.633 ' HG3' HD12 ' A' ' 26' ' ' ILE . 87.9 tttt -50.01 -45.9 52.33 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.606 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -62.6 -41.21 98.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.925 0.393 . . . . 0.0 110.375 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -61.79 -43.9 97.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.765 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD22 HD23 ' A' ' 75' ' ' LEU . 90.2 mt -63.51 -40.54 97.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.658 0.266 . . . . 0.0 110.808 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.723 HE21 HD11 ' A' ' 26' ' ' ILE . 45.2 mm-40 -54.95 -44.32 74.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.0 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' C ' HE21 ' A' ' 101' ' ' GLN . 98.6 mt -65.28 -41.0 94.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.885 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -57.29 -46.95 82.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.835 -179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.2 m-85 -67.22 -36.46 81.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.267 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.424 ' CG2' HH21 ' A' ' 104' ' ' ARG . 69.6 m -60.03 -40.01 87.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.527 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.8 mt-30 -71.12 -34.27 70.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.27 -51.11 22.4 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.915 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -55.27 -39.68 70.11 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.424 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.8 ptp180 -74.25 -30.25 62.05 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.621 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.6 m -67.79 -25.47 65.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.802 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.561 HD11 ' CB ' ' A' ' 15' ' ' THR . 7.3 mm -61.45 -43.69 97.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -63.45 -37.16 86.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.379 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.33 -21.76 66.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.151 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.38 37.69 93.55 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.939 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.276 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 39.2 Cg_endo -65.66 -23.74 56.14 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.658 2.239 . . . . 0.0 111.928 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 95.4 mt -63.29 -42.28 99.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.52 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.55 160.52 53.07 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.2 m -72.23 142.11 48.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.788 0.328 . . . . 0.0 110.664 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t -80.24 -46.71 15.78 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.658 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 40.1 p-10 -95.8 118.73 33.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 m -82.85 131.13 35.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.386 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.88 69.35 1.39 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 66.9 p -65.37 -32.51 74.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 110.348 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.58 -18.84 0.51 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD21 ' OE1' ' A' ' 45' ' ' GLN . 30.8 mt -65.19 142.93 58.16 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.433 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -102.89 -6.29 22.64 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.671 -179.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.56 -4.16 58.02 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.647 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -96.55 109.81 22.33 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 14.8 t80 -49.29 -25.19 2.21 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.869 -179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.488 ' HA ' HD12 ' A' ' 106' ' ' ILE . 5.5 t -68.94 -60.07 2.62 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -78.14 -32.26 50.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.509 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -57.4 -43.08 83.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.492 -178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.3 m -60.01 -43.28 95.32 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.94 -41.26 95.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.766 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.8 m -59.08 -48.61 80.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.09 -38.55 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.788 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.493 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mt -62.75 -48.39 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-O 120.7 0.286 . . . . 0.0 110.511 178.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.32 84.63 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.03 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.6 m -66.18 -45.79 79.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.078 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.04 -43.41 87.61 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.389 -0.525 . . . . 0.0 111.761 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -59.72 -47.53 85.27 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.607 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -71.72 -32.27 67.6 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.214 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.19 -48.4 80.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.091 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.762 HD11 HE21 ' A' ' 96' ' ' GLN . 47.5 pt -76.17 -21.6 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -77.18 -39.94 47.1 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.804 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -42.81 144.67 1.0 Allowed Pre-proline 0 CA--C 1.541 0.603 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.265 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.466 ' O ' HD12 ' A' ' 28' ' ' LEU . 59.7 Cg_endo -72.42 135.5 24.52 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.963 1.775 . . . . 0.0 111.777 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -54.89 -8.69 0.28 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.618 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 29' ' ' PRO . 91.4 m-20 -91.55 -1.79 57.38 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.55 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -71.91 142.79 85.87 Favored Pre-proline 0 CA--C 1.536 0.431 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.305 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.92 -28.16 20.05 Favored 'Trans proline' 0 N--CA 1.498 1.736 0 C-N-CA 122.317 2.011 . . . . 0.0 111.878 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.674 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.62 23.52 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.631 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.543 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 5.3 tpt180 -59.79 -45.86 90.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.194 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -78.63 -41.41 31.58 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.397 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.51 -43.57 89.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -177.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 34' ' ' ASN . 13.9 p -61.06 -32.78 53.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.713 0.292 . . . . 0.0 110.372 -179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.84 -44.43 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.431 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.9 -40.85 97.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.408 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.7 m -61.86 -47.02 86.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.599 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.47 80.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.514 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.531 HH21 ' C ' ' A' ' 79' ' ' TYR . 99.3 mtt180 -51.22 -40.53 58.97 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.458 -0.497 . . . . 0.0 109.908 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.02 -43.45 99.15 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.51 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.7 mm-40 -64.72 -42.57 95.14 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.659 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.6 HG23 ' HB3' ' A' ' 72' ' ' LEU . 22.1 mt -61.93 -55.89 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.506 -179.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -64.76 -42.58 95.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.718 -178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.568 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.6 t0 -65.24 -38.34 90.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.34 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.12 -61.92 2.25 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.744 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -68.64 -31.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.936 -179.035 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.0 t -61.36 -49.2 77.89 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.568 HH21 ' CG ' ' A' ' 48' ' ' ASP . 15.1 ptp180 -73.92 -29.62 62.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.881 0.372 . . . . 0.0 110.592 -178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.2 m-85 -103.29 14.39 31.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.844 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.9 tpt85 -58.8 -44.19 90.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.878 0.371 . . . . 0.0 110.186 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -86.83 2.25 49.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.947 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -60.16 -46.5 89.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.402 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.79 -8.88 0.03 OUTLIER Glycine 0 CA--C 1.52 0.386 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.9 t0 54.51 29.0 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.142 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 67.96 96.73 0.06 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.733 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.39 36.98 0.09 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 169.99 -29.89 0.14 Allowed Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.67 120.0 39.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.001 0.429 . . . . 0.0 110.413 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.29 -42.07 88.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.614 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -47.98 81.61 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.604 -179.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -63.25 -46.64 85.95 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.084 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.1 m -64.51 -47.69 77.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.931 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.7 m -63.57 -45.67 89.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.5 mmm -64.29 -42.59 96.33 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.45 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.543 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.49 -57.79 5.61 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.433 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 m -68.42 -44.54 74.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.755 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.86 -52.15 66.68 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.701 0.286 . . . . 0.0 111.518 -178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.6 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.2 mp -64.1 -42.12 97.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.721 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.9 m-20 -64.13 -42.16 96.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.953 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.0 m -61.66 -47.92 83.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.947 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.692 ' C ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -79.16 -20.64 47.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.676 0.274 . . . . 0.0 111.426 -179.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.527 ' N ' HD12 ' A' ' 75' ' ' LEU . . . -64.43 -41.36 96.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.058 0.456 . . . . 0.0 110.007 179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -67.67 -29.27 73.74 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -60.55 -39.83 89.38 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.568 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.531 ' C ' HH21 ' A' ' 43' ' ' ARG . 36.7 m-85 -60.59 -45.67 93.1 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.365 -0.534 . . . . 0.0 111.039 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.468 ' N ' HH21 ' A' ' 43' ' ' ARG . 3.2 t -89.78 -8.14 52.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.294 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.456 ' OG ' ' CE1' ' A' ' 82' ' ' TYR . 14.1 t -60.35 -52.0 67.11 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.278 -179.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CE1' ' OG ' ' A' ' 81' ' ' SER . 26.8 m-85 -113.49 -24.29 9.35 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.038 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.28 127.21 0.68 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.65 30.26 4.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.42 ' HE ' ' HB3' ' A' ' 82' ' ' TYR . 40.0 ttm-85 -112.3 133.66 21.7 Favored Pre-proline 0 N--CA 1.469 0.511 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.542 ' CG ' HH21 ' A' ' 35' ' ' ARG . 60.2 Cg_endo -71.26 148.59 55.8 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.472 1.448 . . . . 0.0 111.193 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.2 mt -67.49 135.81 93.04 Favored Pre-proline 0 CA--C 1.54 0.585 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -48.83 149.41 7.71 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.438 1.426 . . . . 0.0 112.171 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.16 -35.48 80.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.38 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.76 -47.32 81.48 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.714 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -70.88 -37.04 73.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.228 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.69 ' HG3' HD12 ' A' ' 26' ' ' ILE . 63.0 tttm -53.11 -46.44 68.72 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.961 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -61.99 -41.04 97.61 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.344 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -64.21 -43.17 95.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.812 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.72 -39.29 93.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.634 0.254 . . . . 0.0 110.842 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.762 HE21 HD11 ' A' ' 26' ' ' ILE . 32.2 mm-40 -51.77 -45.83 63.9 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 91.5 mt -67.99 -43.08 79.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.006 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -51.35 -43.56 61.82 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.666 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.493 ' HB3' HG23 ' A' ' 19' ' ' ILE . 30.3 m-85 -68.17 -35.34 77.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.27 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.9 m -58.96 -44.91 91.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.877 0.37 . . . . 0.0 110.455 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 2.9 mp0 -67.67 -35.73 79.38 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.161 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.77 -52.27 61.08 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.572 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -65.93 -34.72 78.76 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 110.595 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -62.57 -39.65 94.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.528 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.6 m -60.85 -36.07 78.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.599 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 12' ' ' SER . 31.9 mm -63.6 -43.06 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.524 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -54.72 -46.16 74.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.624 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.565 ' NH1' HG12 ' A' ' 110' ' ' VAL . 9.3 ptm180 -85.28 -17.57 36.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.266 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.15 73.44 0.51 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.565 HG12 ' NH1' ' A' ' 108' ' ' ARG . 2.7 m . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.592 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.35 -18.86 50.1 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.796 2.331 . . . . 0.0 112.06 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.6 mt -95.28 132.23 40.49 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.521 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 76.69 23.94 68.67 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 45.8 t -137.28 143.03 41.95 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.787 0.327 . . . . 0.0 110.582 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 37.0 m -98.59 159.46 14.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -144.99 168.56 19.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.353 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -102.9 121.53 42.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.495 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 3' ' ' SER . . . 50.38 176.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.51 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 73.9 p -67.14 -30.13 70.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.012 0.434 . . . . 0.0 110.375 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 157.9 -19.02 0.35 Allowed Glycine 0 CA--C 1.527 0.838 0 N-CA-C 111.375 -0.69 . . . . 0.0 111.375 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.5 mt -64.98 145.55 56.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.641 0.257 . . . . 0.0 110.371 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.3 p -109.75 -7.85 15.0 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.603 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.03 -3.78 57.18 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.604 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.55 104.71 17.17 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.486 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.9 t80 -44.87 -22.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.685 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.1 m -73.37 -61.56 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 111.856 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -76.89 -31.83 57.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.309 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.506 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.8 m-20 -56.45 -44.58 80.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.536 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.6 m -61.39 -44.27 97.44 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.024 0.44 . . . . 0.0 109.955 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 tt -66.49 -39.18 88.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.143 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 m -59.47 -48.78 80.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.816 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.55 -39.46 85.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.109 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 99' ' ' PHE . 36.1 mt -63.09 -47.1 94.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-O 120.67 0.271 . . . . 0.0 110.736 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.24 78.43 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.283 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -70.29 -44.02 69.23 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.933 0.397 . . . . 0.0 111.016 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.45 -43.35 85.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.405 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.77 -50.41 74.03 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.386 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.49 -36.0 81.65 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.567 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.845 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.8 -50.06 75.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.386 -179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.464 HG22 HD12 ' A' ' 87' ' ' ILE . 18.5 pt -78.59 -18.63 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -87.42 0.28 55.74 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.98 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.845 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -75.83 153.93 85.07 Favored Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.696 -179.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -75.49 149.53 34.89 Favored 'Trans proline' 0 N--CA 1.491 1.357 0 C-N-CA 122.426 2.084 . . . . 0.0 111.453 177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 19.0 mp0 -65.83 -10.97 42.77 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.961 -0.296 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -92.0 0.45 57.47 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.745 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.62 123.99 89.65 Favored Pre-proline 0 CA--C 1.542 0.649 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -74.09 -17.53 21.95 Favored 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.83 1.687 . . . . 0.0 112.159 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.6 20.22 9.96 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.715 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.361 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -68.1 -31.63 71.37 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.625 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -63.62 -49.02 74.93 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.214 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.3 m -63.66 -33.05 59.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.606 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -59.94 -48.95 79.62 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -65.34 -42.33 93.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.856 0.36 . . . . 0.0 110.81 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.4 m -62.35 -45.11 94.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.53 -46.49 89.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.533 HH21 ' C ' ' A' ' 79' ' ' TYR . 98.8 mtt180 -52.43 -39.09 60.59 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.873 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.73 95.29 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.468 -1.053 . . . . 0.0 110.468 179.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 67.3 mm-40 -63.98 -42.36 97.25 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.605 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.693 HD11 HD11 ' A' ' 75' ' ' LEU . 94.4 mt -61.11 -54.54 33.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.706 -0.397 . . . . 0.0 111.192 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -64.82 -43.61 92.54 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.213 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.27 -39.79 94.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.213 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.45 -63.15 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.971 -178.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.11 -30.53 48.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.922 -178.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.72 -49.6 75.79 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -75.44 -28.73 59.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 -179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.531 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.8 m-85 -103.07 13.92 33.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.693 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.527 ' N ' ' O ' ' A' ' 50' ' ' ILE . 12.1 tpp85 -56.88 -46.01 82.14 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.818 0.342 . . . . 0.0 110.872 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.25 -2.07 56.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.226 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 58' ' ' ASP . 1.8 tmtp? -98.8 115.45 28.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.85 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 75.59 -24.17 1.52 Allowed Glycine 0 CA--C 1.52 0.379 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.462 ' H ' ' C ' ' A' ' 56' ' ' LYS . 98.0 m-20 43.01 19.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.928 0.394 . . . . 0.0 110.288 -179.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 55.67 115.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.547 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 147.09 -22.99 1.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -111.17 -32.73 2.51 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -106.56 124.94 50.36 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.901 0.382 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.7 -42.71 95.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.821 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -63.54 -50.31 70.04 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.214 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.431 ' CE2' ' O ' ' A' ' 56' ' ' LYS . 33.7 t80 -64.26 -47.13 80.77 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.236 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.1 m -64.16 -46.58 83.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.583 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.3 m -63.11 -45.14 93.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.303 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 64.8 mmm -63.14 -42.34 99.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.229 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.07 -58.17 4.83 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.93 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.0 m -67.22 -45.25 77.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.08 -51.26 70.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.728 0.299 . . . . 0.0 111.395 -178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.0 mp -63.29 -41.64 98.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.927 0.394 . . . . 0.0 110.527 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.3 m-20 -65.07 -37.07 86.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.743 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.8 m -60.76 -56.64 18.79 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.528 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.693 HD11 HD11 ' A' ' 46' ' ' ILE . 2.4 pp -70.12 -30.59 67.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.334 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -56.69 -27.5 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.871 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -77.95 -32.14 45.86 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.801 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 12.5 m-85 -58.43 -44.21 89.04 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.871 0.336 . . . . 0.0 110.616 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' C ' HH21 ' A' ' 43' ' ' ARG . 28.6 m-85 -62.37 -45.8 91.54 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.774 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.437 ' N ' HH21 ' A' ' 43' ' ' ARG . 71.1 p -77.86 -21.39 51.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.037 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 77' ' ' GLY . 58.8 m -59.84 -47.87 83.99 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.948 -179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -112.17 -25.05 9.5 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.14 -28.16 13.98 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -168.34 49.79 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.526 -0.47 . . . . 0.0 111.664 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 -111.55 114.35 52.66 Favored Pre-proline 0 N--CA 1.467 0.383 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -48.37 135.54 25.84 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.471 1.448 . . . . 0.0 111.5 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.464 HD12 HG22 ' A' ' 26' ' ' ILE . 33.0 mt -60.34 134.34 91.05 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.269 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -49.16 150.15 7.71 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.659 1.572 . . . . 0.0 112.539 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -65.88 -37.16 85.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.47 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 25.7 pttm -64.18 -47.21 80.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.215 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 4.6 tp -64.73 -44.02 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.417 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -46.82 -44.38 19.28 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -59.68 -43.09 94.15 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.432 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.03 -43.82 97.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.49 -40.71 97.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.947 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -55.31 -48.29 74.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.723 0.297 . . . . 0.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.53 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.84 -41.21 95.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -54.87 -44.64 74.24 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.616 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.426 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.9 m-85 -68.17 -35.56 78.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.454 -0.499 . . . . 0.0 110.72 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.3 m -59.34 -41.09 88.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.225 0.536 . . . . 0.0 109.687 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.53 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -70.04 -32.3 70.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.735 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.18 -51.66 14.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.506 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.476 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -61.6 -41.11 96.99 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 121.114 -0.235 . . . . 0.0 111.267 -179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 10.3 ptm180 -69.77 -32.29 70.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.054 0.454 . . . . 0.0 110.249 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.6 m -66.41 -25.66 66.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.165 -179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.536 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.9 mm -61.12 -43.41 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.75 -0.38 . . . . 0.0 109.977 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -64.87 -36.17 83.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.407 ' NE ' ' CG1' ' A' ' 110' ' ' VAL . 36.3 ttp180 -65.05 -26.57 68.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.44 179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.54 37.69 95.15 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.407 ' CG1' ' NE ' ' A' ' 108' ' ' ARG . 7.6 m . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.822 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.546 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.492 2.399 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 31.9 Cg_exo -60.11 144.55 99.47 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.731 2.287 . . . . 0.0 111.878 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.569 HD22 ' N ' ' A' ' -2' ' ' LEU . 3.8 mm? -83.82 139.36 32.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.584 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -74.39 -15.97 80.09 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.7 t 56.71 167.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.849 0.357 . . . . 0.0 110.483 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.5 t -73.12 128.87 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.447 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.99 -41.06 99.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.568 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -60.15 133.38 56.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.34 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.18 153.21 24.66 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 65.1 p -67.84 -34.29 76.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.764 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.02 -18.79 0.48 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD21 ' OE1' ' A' ' 45' ' ' GLN . 32.2 mt -67.44 144.74 55.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 2.0 p -109.21 -5.36 15.96 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.581 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.16 -4.34 55.4 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.685 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.01 110.88 22.36 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.547 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.0 OUTLIER -51.48 -23.89 4.5 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.859 -0.337 . . . . 0.0 110.693 -179.545 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 106' ' ' ILE . 74.9 m -71.81 -60.86 2.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -75.81 -32.08 59.68 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.211 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -58.12 -44.13 87.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 -178.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.2 m -60.51 -44.11 96.35 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.8 tt -66.46 -38.41 87.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.275 179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.4 m -59.85 -49.95 75.7 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.79 -37.9 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.199 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.4 mt -62.81 -47.8 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.59 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.02 85.62 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.27 -0.572 . . . . 0.0 110.34 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 99.8 m -65.61 -45.2 84.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.022 0.439 . . . . 0.0 111.074 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.3 mt -66.76 -43.4 84.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.767 -0.373 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -59.04 -49.65 77.09 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.701 -0.399 . . . . 0.0 111.605 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -68.86 -33.79 74.39 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.675 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.817 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.48 -50.56 72.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.633 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 87' ' ' ILE . 16.0 pt -78.36 -18.95 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -90.87 6.89 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.939 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.817 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -81.36 154.42 71.73 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.55 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.68 147.26 31.24 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.267 1.978 . . . . 0.0 111.561 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.665 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -63.61 -9.75 15.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.847 0.356 . . . . 0.0 110.764 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 64.7 t0 -88.65 -20.17 25.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.586 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -52.42 121.64 22.01 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.663 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.97 -14.71 23.73 Favored 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 121.813 1.675 . . . . 0.0 112.136 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.446 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.5 OUTLIER -95.49 21.2 8.46 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.709 -179.633 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.9 ttp180 -61.6 -41.82 97.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.134 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.493 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 1.1 mm100 -67.72 -32.27 72.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.069 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.78 -48.92 72.72 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.72 0.295 . . . . 0.0 111.734 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -61.2 -32.83 53.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.046 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -63.62 -48.51 77.03 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.434 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -68.68 -44.3 74.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.394 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.6 m -61.18 -45.24 95.44 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.584 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.5 -41.57 98.54 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.49 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -52.43 -42.37 64.06 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.45 -43.43 99.05 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.559 -1.016 . . . . 0.0 110.559 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.503 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.8 mm-40 -64.49 -42.94 95.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.651 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.692 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.58 -55.74 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.41 -179.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -66.54 -42.67 86.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' CG ' HH21 ' A' ' 52' ' ' ARG . 66.7 t0 -64.16 -35.98 82.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.03 -59.96 4.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.96 0.41 . . . . 0.0 111.905 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.4 -29.13 34.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.19 -179.326 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -62.55 -50.6 70.69 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.546 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.5 ptp180 -70.85 -38.4 73.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.975 0.417 . . . . 0.0 110.592 -179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.547 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.5 m-85 -93.77 15.3 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.799 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.431 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 18.4 tpp180 -59.74 -45.84 90.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.437 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mmt85 -84.07 -4.16 58.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.759 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -50.78 -75.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.97 0.414 . . . . 0.0 110.44 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -134.92 -0.24 3.54 Favored Glycine 0 N--CA 1.464 0.519 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 54' ' ' ARG . 66.8 m-20 52.59 29.99 7.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.078 -179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . . . 55.39 94.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.59 38.63 0.05 OUTLIER Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.85 -23.83 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 66' ' ' THR . 6.6 mp -107.53 121.25 44.25 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.978 0.418 . . . . 0.0 110.186 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -64.56 -41.86 96.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.522 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -64.54 -51.1 64.61 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.147 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.0 t80 -64.18 -45.82 86.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.896 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 62' ' ' LEU . 40.6 p -63.37 -48.42 77.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.45 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.6 m -63.94 -45.84 87.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.622 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 69.2 mmm -63.63 -43.35 97.07 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.42 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.546 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.9 tt0 -48.06 -57.79 5.33 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.949 -179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -66.24 -46.34 77.48 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.83 -51.82 68.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.692 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -62.52 -41.91 99.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.943 0.401 . . . . 0.0 110.596 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.6 m-20 -64.52 -37.23 86.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.496 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 69.4 m -62.5 -57.37 11.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.62 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.44 -30.25 69.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 111.01 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.42 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.11 -27.8 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.45 ' O ' ' OG ' ' A' ' 81' ' ' SER . . . -78.94 -32.81 38.85 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.486 -0.646 . . . . 0.0 111.486 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' CE2' HD22 ' A' ' 91' ' ' LEU . 14.7 m-85 -59.45 -40.57 87.24 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.748 -0.266 . . . . 0.0 111.143 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -61.1 -47.02 88.21 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.593 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -85.92 -12.1 51.44 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.123 -179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 77' ' ' GLY . 32.4 m -58.79 -50.53 73.61 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.569 -179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -112.2 -25.6 9.22 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.228 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.62 -21.81 43.74 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -172.13 48.96 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.437 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.75 103.05 53.92 Favored Pre-proline 0 N--CA 1.466 0.364 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -46.85 129.46 14.6 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 121.523 1.482 . . . . 0.0 111.265 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 26' ' ' ILE . 42.9 mt -55.18 136.07 68.2 Favored Pre-proline 0 CA--C 1.54 0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.865 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.444 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 35.4 Cg_endo -65.74 161.2 40.05 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.11 1.873 . . . . 0.0 111.995 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.98 -40.29 94.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.39 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.521 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 21.8 pttm -53.56 -49.25 68.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.543 -178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.521 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 5.6 tp -70.8 -38.03 73.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.81 -44.37 70.14 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.552 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.97 -42.57 99.28 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.312 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' A' ' 98' ' ' GLU . 77.6 ttt-85 -64.48 -43.95 92.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.852 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' OE1' ' A' ' 98' ' ' GLU . 91.1 mt -63.69 -41.24 98.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.992 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.8 mm-40 -55.14 -44.77 75.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.366 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' C ' HE21 ' A' ' 101' ' ' GLN . 99.1 mt -64.84 -42.07 95.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.781 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' A' ' 94' ' ' ARG . 98.3 mt-10 -55.71 -45.36 77.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.474 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.77 -35.0 77.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.7 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 m -60.35 -44.09 95.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.092 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.507 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.2 mt-30 -69.49 -34.36 74.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -66.32 -52.44 47.16 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.378 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -65.39 -35.2 80.25 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.356 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -65.26 -38.04 89.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.503 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 9.1 m -64.3 -30.65 71.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.057 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' A' ' 12' ' ' SER . 30.6 mm -62.14 -42.81 96.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.132 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -52.06 -48.35 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.688 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 9.7 ptp85 -82.32 -12.14 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.56 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.18 76.51 0.18 Allowed Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.693 179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.44 0 N-CA-C 109.643 -1.383 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -70.83 154.2 63.64 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.867 2.378 . . . . 0.0 111.91 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 67.8 mt -96.07 134.89 38.58 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.083 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 75.33 73.61 0.96 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 47.5 t -64.94 146.41 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -62.54 -34.37 76.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.683 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -77.27 90.35 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.659 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 t -138.9 -24.26 0.91 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.517 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.53 -172.74 53.68 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.475 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 81.8 p -66.45 -34.42 77.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.832 0.348 . . . . 0.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -20.87 0.51 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 45' ' ' GLN . 24.0 mt -70.34 147.23 49.85 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 t -115.21 -18.21 11.18 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.605 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 120.91 -1.35 11.91 Favored Glycine 0 N--CA 1.469 0.887 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.76 109.95 21.38 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.971 0.415 . . . . 0.0 110.2 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 44.6 t80 -56.44 -23.39 38.26 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.078 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 t -70.58 -59.67 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -76.34 -31.74 58.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.246 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 98.5 m-20 -56.21 -43.19 78.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.592 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.587 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.5 m -59.48 -45.31 92.03 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.34 -40.33 93.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.756 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -59.74 -51.57 69.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.662 0.268 . . . . 0.0 111.41 -177.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.3 p -65.96 -40.22 86.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.294 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.478 HD12 HG22 ' A' ' 15' ' ' THR . 32.3 mt -62.32 -47.96 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 CA-C-O 120.749 0.309 . . . . 0.0 110.767 179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.34 85.69 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.434 -179.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.7 m -68.69 -45.19 72.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.741 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.69 -43.73 83.64 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.551 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -57.44 -50.53 72.73 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.509 -0.476 . . . . 0.0 111.368 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -69.49 -34.99 75.14 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -59.79 -49.81 76.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.492 -179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -78.53 -10.24 12.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.691 0.282 . . . . 0.0 110.952 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.517 ' HA ' ' HZ1' ' A' ' 92' ' ' LYS . 47.9 t0 -102.79 8.33 39.38 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.862 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.706 HD12 ' C ' ' A' ' 28' ' ' LEU . 1.1 pp -85.0 145.16 42.79 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.531 -179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.45 ' O ' HD12 ' A' ' 28' ' ' LEU . 57.7 Cg_endo -72.46 135.43 24.33 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.047 1.831 . . . . 0.0 112.345 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.63 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -55.2 -8.56 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 29' ' ' PRO . 54.2 t0 -85.88 -8.35 58.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.491 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.625 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -77.55 129.49 76.92 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.931 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.59 -11.97 22.36 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 122.127 1.885 . . . . 0.0 112.251 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.7 OUTLIER -87.45 10.63 16.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.704 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -65.7 -41.33 92.47 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.129 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -73.95 -40.85 62.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.656 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -69.51 -46.45 66.52 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.464 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.9 p -62.65 -33.22 58.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.918 0.389 . . . . 0.0 110.368 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -55.58 -46.97 77.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.153 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.84 -38.94 92.8 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.146 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.734 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.37 -48.35 81.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.194 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -54.62 -42.48 71.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.891 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.7 -42.78 99.81 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.476 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.8 mm-40 -63.11 -41.41 99.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.707 0.289 . . . . 0.0 110.423 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.634 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.6 mt -61.56 -54.85 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.134 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -64.44 -44.48 91.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.99 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -63.72 -37.71 88.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.591 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.89 -59.76 4.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 0.0 111.411 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.62 -38.6 73.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 -179.431 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.6 t -54.78 -51.07 66.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -71.7 -40.25 69.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.001 0.429 . . . . 0.0 110.707 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.7 m-85 -92.73 19.04 7.93 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.965 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 50' ' ' ILE . 13.2 tpp85 -64.43 -45.09 89.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.488 179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -85.23 1.69 47.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.956 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -58.35 -46.41 86.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.491 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' H ' ' H ' ' A' ' 58' ' ' ASP . . . -170.47 -1.93 0.03 OUTLIER Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.616 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 43.4 t0 50.24 24.6 1.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 76.12 167.88 0.26 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.346 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.43 0.89 57.99 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.77 -40.1 0.13 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.14 124.53 50.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.021 0.438 . . . . 0.0 110.426 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.12 -42.61 93.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.439 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.1 t -61.76 -47.35 85.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.853 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.6 t80 -63.35 -48.31 78.52 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.958 -179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -64.24 -46.55 83.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.955 0.407 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 78.1 m -63.26 -47.65 81.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.782 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.587 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.53 -40.25 92.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.7 tt0 -46.24 -57.09 4.87 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.621 -179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.1 m -71.98 -43.52 64.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.807 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.45 -51.92 67.5 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.55 0.214 . . . . 0.0 111.463 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.634 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.4 mp -64.05 -41.47 97.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.549 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.0 m-20 -64.35 -36.0 82.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.858 0.361 . . . . 0.0 110.627 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.9 m -59.71 -56.38 22.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.78 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -72.6 -23.63 60.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.752 0.311 . . . . 0.0 110.802 -179.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.93 75.54 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.807 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -69.88 -37.59 74.99 Favored Glycine 0 CA--C 1.529 0.915 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.566 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -53.3 -43.01 67.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.798 0.299 . . . . 0.0 110.958 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -61.11 -46.56 90.09 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.601 -0.44 . . . . 0.0 111.498 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.1 t -88.14 -10.6 49.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.034 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 40.2 m -61.53 -53.74 52.36 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.64 -179.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -114.23 -24.37 8.98 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 115.85 -103.85 1.23 Allowed Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -103.3 57.49 0.75 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.658 0.265 . . . . 0.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 47.8 mtp180 -110.5 106.62 58.0 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -48.07 132.71 23.17 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.939 1.76 . . . . 0.0 111.944 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 63.4 mt -62.72 135.46 95.81 Favored Pre-proline 0 CA--C 1.539 0.527 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.048 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.18 149.97 88.16 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.816 1.677 . . . . 0.0 111.769 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.33 -34.52 68.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.263 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -51.74 -54.02 33.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -66.17 -41.75 89.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.444 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HZ1' ' HA ' ' A' ' 27' ' ' ASP . 87.5 tttt -47.54 -40.36 18.69 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.703 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.8 -45.11 95.67 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.528 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.38 -45.79 82.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.234 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.479 HD22 HD23 ' A' ' 75' ' ' LEU . 84.4 mt -64.28 -40.61 96.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.115 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 44.7 mm-40 -53.37 -45.56 69.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.028 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.583 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 93.8 mt -66.56 -43.56 84.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -51.66 -43.55 62.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.801 0.334 . . . . 0.0 110.74 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.9 m-85 -69.32 -36.54 77.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 88.5 m -59.12 -43.82 91.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.96 0.41 . . . . 0.0 110.155 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.0 mp0 -68.51 -33.23 73.77 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.605 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.59 -53.11 20.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.561 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -62.15 -38.91 90.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.542 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -65.79 -37.91 87.57 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.581 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.4 m -65.27 -28.52 69.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.515 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.7 mm -63.58 -42.57 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 CA-C-O 120.813 0.339 . . . . 0.0 110.348 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.74 -48.51 63.62 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.749 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -78.15 -18.35 55.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.875 0.369 . . . . 0.0 110.483 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.95 62.04 6.35 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.664 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -68.65 152.46 74.48 Favored 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.822 2.348 . . . . 0.0 112.065 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.421 HD11 ' OE1' ' A' ' 37' ' ' GLU . 49.6 tp -62.7 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.368 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 140.63 156.02 6.72 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 6.5 m -71.65 149.97 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.73 0.3 . . . . 0.0 110.4 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.9 m -96.19 102.68 14.51 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.527 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -81.17 142.27 33.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.608 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -65.12 137.1 57.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.6 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.08 148.94 0.06 OUTLIER Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 35.6 p -67.03 -31.65 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.76 -17.41 0.96 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD21 ' OE1' ' A' ' 45' ' ' GLN . 60.1 mt -65.92 145.18 56.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.736 0.303 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.62 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 12.6 p -105.5 -2.74 23.28 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.638 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 91.17 -2.99 79.76 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.62 ' ND2' ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -94.85 104.36 16.26 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.934 0.397 . . . . 0.0 110.054 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.542 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.8 t80 -44.19 -22.09 0.06 Allowed 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.734 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 10' ' ' ASN . 1.5 m -72.53 -62.23 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.926 -178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -78.11 -31.61 50.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.135 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.6 m-20 -56.1 -43.7 78.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.359 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.541 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -61.84 -43.98 97.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.0 tp -65.33 -39.61 92.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 m -59.04 -50.11 75.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.07 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG22 HD12 ' A' ' 22' ' ' LEU . 7.5 p -64.68 -38.57 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.537 -0.465 . . . . 0.0 110.175 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.47 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.1 mt -63.57 -47.85 89.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.834 178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.84 82.41 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.257 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.0 m -70.07 -44.17 69.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.926 0.393 . . . . 0.0 110.711 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD12 HG22 ' A' ' 18' ' ' VAL . 40.3 mt -66.16 -43.71 86.19 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.219 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.31 -50.39 73.8 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.403 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -68.98 -32.74 72.54 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.825 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.829 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -62.83 -50.29 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.651 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 87' ' ' ILE . 15.7 pt -78.01 -17.96 13.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -90.53 7.27 39.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.665 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -79.37 152.94 76.41 Favored Pre-proline 0 CA--C 1.536 0.429 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.358 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.57 150.49 45.73 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 122.267 1.978 . . . . 0.0 111.588 176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -63.36 -19.98 65.12 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.094 0.473 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -87.08 2.71 48.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.211 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 124.85 85.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.832 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.36 -17.25 21.45 Favored 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 121.892 1.728 . . . . 0.0 112.24 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.454 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -99.17 19.98 14.32 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.618 -179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.8 ttp-105 -65.17 -41.71 94.4 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.307 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -73.98 -39.0 63.98 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.64 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' OE1' HD11 ' A' ' -2' ' ' LEU . 42.2 tp10 -72.07 -46.0 58.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 112.023 -178.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.9 p -61.11 -33.04 54.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.717 0.294 . . . . 0.0 110.283 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -57.16 -46.22 82.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.283 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -64.26 -36.07 82.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.081 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -60.68 -49.91 75.6 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.684 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.29 -38.55 85.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.026 0.441 . . . . 0.0 110.162 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.2 ttt-85 -54.03 -43.44 70.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.704 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.3 97.87 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.553 -1.019 . . . . 0.0 110.553 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.531 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.6 mm-40 -62.22 -41.32 98.29 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.518 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.662 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.5 mt -61.56 -55.29 25.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.656 -0.417 . . . . 0.0 111.09 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 -64.83 -43.97 91.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.099 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.575 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -60.82 -59.96 4.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.859 0.361 . . . . 0.0 111.816 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.61 -30.58 39.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.967 -179.005 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.4 t -61.45 -50.87 71.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -70.77 -37.68 73.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.821 0.343 . . . . 0.0 110.7 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.3 m-85 -94.75 15.74 17.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.933 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 50' ' ' ILE . 17.5 tpp180 -60.68 -46.13 91.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.5 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -83.77 1.01 44.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.025 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 44.5 tttm -60.72 -46.53 90.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.345 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.03 4.23 0.03 OUTLIER Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.567 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 5.7 p-10 41.48 29.21 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.528 0.204 . . . . 0.0 110.455 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.84 170.01 0.3 Allowed 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.559 -179.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.02 -0.32 58.94 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -134.89 -45.58 0.1 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 62' ' ' LEU . 8.8 mp -101.38 126.67 48.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.979 0.419 . . . . 0.0 110.287 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -65.75 -44.29 86.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.396 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.3 t -61.63 -47.44 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -63.53 -45.98 88.1 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.735 -179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 97.4 m -64.21 -47.58 79.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.576 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -63.5 -45.9 88.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.8 mmm -64.02 -42.55 97.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.551 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.1 tt0 -48.53 -59.12 3.75 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.273 -0.571 . . . . 0.0 110.704 -179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -66.27 -45.17 81.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.788 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.0 -52.82 63.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.697 -0.229 . . . . 0.0 111.459 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.7 mp -63.78 -42.04 97.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.786 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 86.7 m-20 -63.95 -35.99 82.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.59 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.6 m -62.64 -57.04 12.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.6 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 95' ' ' LEU . 3.0 pp -70.82 -22.1 62.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.802 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.46 -39.18 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.194 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.534 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -68.81 -35.38 79.64 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.435 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.5 m-85 -55.04 -42.84 73.17 Favored 'General case' 0 CA--C 1.522 -0.097 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.545 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -61.74 -42.82 99.47 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.849 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -87.1 -14.18 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.629 0.252 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 77' ' ' GLY . 71.6 m -59.15 -50.55 73.61 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.614 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -112.28 -25.41 9.28 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.842 0.353 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.28 -22.2 41.18 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -172.14 51.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.01 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -111.6 109.91 55.51 Favored Pre-proline 0 N--CA 1.468 0.464 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.41 125.65 9.3 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 121.579 1.519 . . . . 0.0 111.85 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.51 HG23 HD23 ' A' ' 91' ' ' LEU . 72.4 mt -55.01 125.66 57.35 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.389 -179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.05 150.53 4.82 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 121.593 1.528 . . . . 0.0 112.523 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -62.16 -33.07 73.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.351 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -61.86 -47.49 84.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.521 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD23 HG23 ' A' ' 87' ' ' ILE . 25.7 tp -67.54 -39.61 84.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.33 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -53.36 -46.29 69.5 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.725 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -61.96 -43.59 98.52 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.691 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.435 HH21 HD11 ' A' ' 91' ' ' LEU . 54.5 ttp180 -63.0 -45.05 94.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.581 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 75' ' ' LEU . 80.9 mt -62.69 -40.56 97.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.107 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -53.03 -43.85 66.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.059 -0.348 . . . . 0.0 110.059 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' C ' HE21 ' A' ' 101' ' ' GLN . 94.9 mt -66.47 -40.51 89.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -56.36 -44.81 80.47 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.814 0.34 . . . . 0.0 110.657 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.47 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.6 m-85 -67.93 -35.33 78.26 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 73.0 m -60.14 -42.77 95.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.025 0.44 . . . . 0.0 110.208 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.502 HE21 ' C ' ' A' ' 97' ' ' LEU . 28.3 mt-30 -69.19 -31.61 70.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.764 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.16 -52.28 12.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.812 -179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -59.71 -41.6 91.17 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.551 HH12 ' NH2' ' A' ' 108' ' ' ARG . 0.2 OUTLIER -73.99 -25.57 59.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.872 0.368 . . . . 0.0 110.411 -179.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.9 m -71.27 -25.64 62.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.56 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.541 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.5 mm -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.01 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.62 -38.46 91.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.563 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.551 ' NH2' HH12 ' A' ' 104' ' ' ARG . 42.4 ttm180 -64.03 -21.26 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.202 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.05 32.2 83.36 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.931 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.97 -19.5 51.95 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.72 2.28 . . . . 0.0 111.867 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' -2' ' ' LEU . 10.4 mp -75.24 143.68 42.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.973 0.416 . . . . 0.0 110.583 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -79.32 -162.15 23.23 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 5.0 t 57.65 60.15 2.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.832 0.349 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 8.1 t -85.12 131.6 34.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.707 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -72.42 146.85 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 p -152.18 150.04 29.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.498 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.19 174.4 45.28 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 34.1 p -66.37 -35.9 81.52 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.796 0.332 . . . . 0.0 110.517 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.78 -18.69 1.11 Allowed Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.2 mt -68.93 139.49 55.08 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.7 p -104.42 -6.91 20.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.564 -179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.74 -7.89 53.81 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.55 -0.62 . . . . 0.0 111.55 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.658 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.15 115.49 28.06 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 178.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' OH ' ' N ' ' A' ' 65' ' ' PHE . 66.6 t80 -54.28 -28.29 40.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.698 -178.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 106' ' ' ILE . 7.2 t -68.1 -58.41 4.52 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -76.43 -31.92 58.15 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.277 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.8 m-20 -59.37 -40.35 86.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.652 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.6 m -60.66 -45.57 93.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.962 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.15 -38.88 86.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.214 179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 m -59.96 -51.22 70.59 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.185 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -66.0 -40.98 88.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.251 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 99' ' ' PHE . 32.7 mt -61.69 -47.65 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.066 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.849 178.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.39 -41.02 83.94 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.109 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.3 m -67.66 -45.07 76.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 0.0 111.023 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.1 mt -66.21 -43.3 87.13 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.661 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -58.12 -49.11 78.12 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.23 -0.588 . . . . 0.0 111.349 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.6 -35.32 75.2 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.815 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.812 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.87 -49.65 76.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.924 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.514 HG22 HD12 ' A' ' 87' ' ' ILE . 13.6 pt -78.12 -17.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.961 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 58.0 t0 -90.91 6.06 46.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.729 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.812 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -80.77 152.86 72.65 Favored Pre-proline 0 CA--C 1.537 0.477 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.77 -179.723 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -72.68 146.28 43.03 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.093 1.862 . . . . 0.0 111.165 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.662 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -61.25 -13.27 17.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.922 0.391 . . . . 0.0 110.703 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -95.81 6.25 49.35 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 129.55 94.31 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.9 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -73.3 -19.64 22.09 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 121.598 1.532 . . . . 0.0 112.169 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.522 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.6 OUTLIER -96.8 18.95 13.36 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.722 -179.603 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 57.0 ttp180 -65.61 -40.7 92.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.989 0.423 . . . . 0.0 110.195 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 59.7 tp60 -73.47 -42.74 61.54 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.805 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -69.04 -44.72 72.09 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.5 p -63.46 -33.31 60.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.901 0.381 . . . . 0.0 110.254 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.574 HE22 ' C ' ' A' ' 84' ' ' ALA . 62.5 mt-30 -59.58 -49.04 79.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.245 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.14 -39.42 92.54 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.661 -0.415 . . . . 0.0 110.262 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.2 m -61.85 -46.96 87.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.798 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.0 -41.57 95.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.886 0.374 . . . . 0.0 110.518 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' A' ' 76' ' ' ALA . 13.2 tpp180 -52.75 -43.29 65.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.3 -42.51 99.8 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.512 ' OE1' HD21 ' A' ' 7' ' ' LEU . 53.8 mm-40 -63.13 -43.23 98.96 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.65 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.647 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.0 mt -60.32 -54.7 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.229 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -65.59 -42.93 91.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.334 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.05 -38.84 92.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.105 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.74 -62.68 1.68 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.686 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.37 -31.3 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.219 -179.208 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.9 t -61.18 -48.61 80.76 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.762 0.315 . . . . 0.0 111.796 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -77.67 -29.92 51.76 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.879 0.371 . . . . 0.0 110.548 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 54.2 m-85 -102.48 15.18 29.96 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 50' ' ' ILE . 9.9 tpt180 -54.76 -46.92 74.42 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.86 0.362 . . . . 0.0 110.817 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 57' ' ' GLY . 19.6 ptp180 -80.48 -3.92 51.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.059 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -64.7 75.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.258 0.552 . . . . 0.0 111.163 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 55' ' ' ARG . . . 72.56 1.36 52.44 Favored Glycine 0 CA--C 1.517 0.203 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 2.6 p30 43.07 29.26 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.88 79.95 0.24 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.507 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -165.78 31.4 0.22 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -177.55 -29.88 0.04 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.5 mp -104.66 120.43 41.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -66.62 -41.22 88.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.263 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -60.57 -50.0 75.29 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 120.727 -0.389 . . . . 0.0 111.06 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 33.0 t80 -64.09 -48.23 76.97 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.45 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.5 m -64.54 -47.19 79.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.255 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.2 m -62.95 -46.1 89.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.841 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.28 -40.51 93.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -46.54 -57.27 4.89 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.702 -179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.7 m -70.7 -43.66 68.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.89 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.48 -51.14 70.66 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.67 0.271 . . . . 0.0 111.599 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.647 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.53 -39.96 95.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 0.0 110.32 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 76.8 m-20 -64.72 -35.31 80.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.685 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 54.2 p -59.93 -55.27 36.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.788 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 46' ' ' ILE . 2.8 pp -73.02 -29.95 63.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.529 ' O ' ' NH1' ' A' ' 43' ' ' ARG . . . -56.22 -25.44 47.43 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.94 -26.51 49.05 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.444 ' CE2' HD22 ' A' ' 91' ' ' LEU . 9.8 m-85 -64.57 -38.69 91.87 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 117.009 0.404 . . . . 0.0 110.858 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.415 ' O ' ' O ' ' A' ' 83' ' ' GLY . 30.8 m-85 -63.65 -38.19 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.34 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.409 ' H ' HG22 ' A' ' 80' ' ' THR . 0.9 OUTLIER -91.41 -36.38 13.83 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.779 0.323 . . . . 0.0 111.028 -179.714 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 47.2 t -62.67 -45.1 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.438 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -106.35 -9.05 16.92 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.828 0.347 . . . . 0.0 110.626 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 79' ' ' TYR . . . 87.84 -142.45 17.73 Favored Glycine 0 N--CA 1.46 0.286 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.574 ' C ' HE22 ' A' ' 39' ' ' GLN . . . -76.46 0.93 18.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.299 -0.45 . . . . 0.0 110.879 -179.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -57.23 141.08 77.87 Favored Pre-proline 0 CA--C 1.539 0.531 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.334 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.5 144.23 49.49 Favored 'Trans proline' 0 N--CA 1.498 1.743 0 C-N-CA 122.343 2.029 . . . . 0.0 111.284 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 26' ' ' ILE . 23.2 mt -69.32 137.23 88.88 Favored Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.0 153.91 75.98 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.533 1.488 . . . . 0.0 111.841 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.86 -36.58 79.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.418 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -53.88 -52.98 58.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.375 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 HD22 ' CE2' ' A' ' 78' ' ' TYR . 4.5 tp -65.02 -43.15 93.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.659 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -47.15 -41.74 18.25 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -60.42 -45.26 94.25 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.86 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -63.67 -44.06 94.87 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.362 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.15 -39.04 89.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -53.73 -46.6 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.401 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.498 ' C ' HE21 ' A' ' 101' ' ' GLN . 11.0 mp -64.69 -41.64 95.89 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.759 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -54.09 -45.33 71.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.82 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.4 m-85 -69.14 -34.62 75.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.782 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.5 m -59.55 -44.11 93.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.201 0.524 . . . . 0.0 109.7 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.498 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.9 mt-30 -68.33 -34.27 75.81 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.832 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.43 -53.11 17.77 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.371 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -61.43 -40.0 92.85 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.27 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.33 -37.59 85.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.828 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 m -61.19 -27.05 68.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 12' ' ' SER . 29.5 mm -62.39 -43.4 98.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -64.22 -38.74 92.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -67.96 -23.97 65.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.424 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 66.78 32.69 81.95 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.1 m . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.977 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.517 ' C ' ' H ' ' A' ' -1' ' ' GLY . 37.6 Cg_endo -65.1 -29.19 56.56 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.711 2.274 . . . . 0.0 111.892 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 78.9 mt 55.12 4.06 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.673 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' -3' ' ' PRO . . . -94.31 -4.63 62.54 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 39.0 t -61.36 -44.07 97.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 110.696 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.3 m 40.37 49.38 2.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.97 140.74 57.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.55 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -103.87 144.27 31.73 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.374 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.57 92.23 1.75 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 60.4 p -66.04 -29.37 69.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.933 0.397 . . . . 0.0 110.431 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' N ' HE22 ' A' ' 45' ' ' GLN . . . 159.33 -19.12 0.26 Allowed Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.456 HD21 ' OE1' ' A' ' 45' ' ' GLN . 39.3 mt -65.26 145.22 56.51 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.428 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.8 p -108.06 -5.68 16.91 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.728 0.299 . . . . 0.0 110.65 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.43 -7.97 56.55 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.41 115.75 28.28 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 38.2 t80 -55.18 -24.36 26.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.336 -179.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 t -70.67 -59.7 2.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -179.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -76.46 -32.0 58.14 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.6 m-20 -57.36 -45.06 84.78 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -178.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.516 ' CB ' HD11 ' A' ' 106' ' ' ILE . 15.0 m -59.91 -44.65 94.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.089 0.471 . . . . 0.0 109.954 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.2 -38.69 88.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.848 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -59.92 -49.68 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.897 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.301 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.4 mt -63.31 -47.27 92.81 Favored 'Isoleucine or valine' 0 C--O 1.231 0.125 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.81 178.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.75 -39.02 79.73 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.209 -179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.8 m -70.51 -43.9 68.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -65.96 -44.1 86.0 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.599 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -57.42 -49.76 75.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.28 -0.568 . . . . 0.0 111.369 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -68.71 -36.14 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.945 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.27 -50.56 73.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.898 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.517 HG22 HD12 ' A' ' 87' ' ' ILE . 12.7 pt -78.23 -17.8 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.163 -179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 53.8 t0 -88.79 2.62 53.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.81 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -78.6 153.42 78.55 Favored Pre-proline 0 CA--C 1.537 0.464 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.716 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.24 146.77 36.54 Favored 'Trans proline' 0 N--CA 1.494 1.54 0 C-N-CA 122.187 1.925 . . . . 0.0 111.435 177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.645 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -61.77 -15.53 42.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.905 0.383 . . . . 0.0 110.665 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -90.53 1.1 57.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.725 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.4 122.17 74.31 Favored Pre-proline 0 CA--C 1.539 0.535 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.71 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.72 -17.17 23.29 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.708 1.605 . . . . 0.0 112.089 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.38 20.92 13.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.449 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.542 HH22 ' HB1' ' A' ' 84' ' ' ALA . 65.7 ttp85 -59.58 -45.3 92.28 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.324 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.522 ' NE2' ' OE1' ' A' ' 39' ' ' GLN . 3.0 mm-40 -64.65 -31.42 72.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.893 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -63.29 -50.26 70.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.859 0.361 . . . . 0.0 110.833 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -67.47 -33.28 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.522 ' OE1' ' NE2' ' A' ' 36' ' ' GLN . 73.1 mt-30 -56.55 -49.44 74.8 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.733 -179.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.14 -40.75 90.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.629 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -63.12 -47.13 84.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.737 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.25 -46.37 80.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.7 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -57.85 -38.95 76.58 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.21 -41.62 96.77 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.391 -1.083 . . . . 0.0 110.391 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.517 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -63.42 -41.1 98.69 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.757 0.313 . . . . 0.0 110.298 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 72' ' ' LEU . 90.7 mt -60.69 -54.77 30.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.068 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.7 -43.37 93.71 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.016 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -37.09 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -61.37 -62.28 1.94 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.94 0.4 . . . . 0.0 111.75 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -68.76 -30.14 46.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 C-N-CA 120.835 -0.346 . . . . 0.0 111.093 -179.185 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.8 t -61.67 -50.01 74.21 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.739 -179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -75.42 -29.71 59.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.658 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 50.6 m-85 -102.02 13.4 34.86 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 50' ' ' ILE . 6.8 tpt180 -56.77 -45.56 82.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -88.55 0.82 55.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.219 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' C ' ' H ' ' A' ' 58' ' ' ASP . 8.9 tmtm? -94.42 107.11 19.09 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.24 0.543 . . . . 0.0 110.783 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' O ' ' N ' ' A' ' 59' ' ' ALA . . . 77.02 -21.82 2.55 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 47.7 t0 41.98 20.08 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.992 0.425 . . . . 0.0 110.452 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 57' ' ' GLY . . . 68.05 158.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.317 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.24 -21.47 45.84 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -106.66 -45.21 1.23 Allowed Glycine 0 N--CA 1.465 0.602 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.2 mp -103.57 125.92 50.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.934 0.397 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -64.41 -42.97 95.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.531 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.1 t -62.05 -48.66 79.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.098 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.483 ' CZ ' ' O ' ' A' ' 53' ' ' TYR . 27.7 t80 -64.12 -47.35 80.31 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.173 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -64.59 -47.18 79.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.665 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.8 m -63.03 -45.52 91.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.521 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.0 mmm -63.93 -42.26 97.4 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.323 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.518 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -48.33 -56.67 7.49 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.791 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.2 m -69.98 -44.45 69.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.793 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.36 -52.37 65.64 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.312 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.8 mp -63.65 -41.21 98.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 72.8 m-20 -63.8 -38.74 92.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.654 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 64.9 m -59.7 -51.33 70.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.023 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD11 HD11 ' A' ' 46' ' ' ILE . 2.2 pp -78.44 -20.71 50.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.701 0.286 . . . . 0.0 111.301 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.07 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.225 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -65.57 -34.26 88.55 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' CE2' HD22 ' A' ' 91' ' ' LEU . 7.5 m-85 -56.71 -43.29 80.41 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.799 -179.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -63.39 -47.37 82.3 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.483 -0.487 . . . . 0.0 111.601 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -84.8 -11.81 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.074 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' O ' ' A' ' 77' ' ' GLY . 11.0 t -59.94 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.684 -0.407 . . . . 0.0 110.732 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -111.49 -24.62 10.04 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.799 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.5 -25.66 26.98 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.542 ' HB1' HH22 ' A' ' 35' ' ' ARG . . . -167.28 51.16 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.714 -0.395 . . . . 0.0 111.282 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -111.24 105.48 56.98 Favored Pre-proline 0 CA--C 1.535 0.386 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -49.06 134.12 29.41 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.676 1.584 . . . . 0.0 111.809 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.517 HD12 HG22 ' A' ' 26' ' ' ILE . 63.9 mt -61.46 124.94 83.14 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.457 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -50.03 150.11 10.62 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.54 1.493 . . . . 0.0 112.379 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.44 -34.02 74.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.194 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.18 -47.32 86.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.704 HD12 HH21 ' A' ' 94' ' ' ARG . 4.9 tp -63.96 -43.64 95.19 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.254 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -48.64 -40.33 27.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.62 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -59.61 -47.17 86.65 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.051 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.704 HH21 HD12 ' A' ' 91' ' ' LEU . 75.1 mtm180 -66.35 -41.74 89.11 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.357 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.91 -39.61 94.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -53.89 -46.2 71.3 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.171 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.573 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.9 mp -64.44 -41.76 96.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.747 179.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -53.06 -47.11 68.7 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.746 -179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.447 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.0 m-85 -68.19 -36.03 78.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.628 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.413 ' CG2' HH21 ' A' ' 104' ' ' ARG . 70.3 m -59.36 -40.17 85.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.12 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.573 HE21 ' C ' ' A' ' 97' ' ' LEU . 30.2 mt-30 -71.67 -33.74 69.11 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.039 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.54 -50.48 21.18 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.91 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -57.46 -40.59 78.82 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.413 HH21 ' CG2' ' A' ' 100' ' ' THR . 18.3 ptp180 -70.29 -33.75 71.92 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.191 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.8 t -63.73 -27.09 68.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.932 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.516 HD11 ' CB ' ' A' ' 15' ' ' THR . 8.6 mm -63.82 -42.96 97.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.82 -48.14 64.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.677 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -78.13 -15.97 58.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.551 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 53.94 62.9 5.63 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.0 -1.0 . . . . 0.0 110.637 -179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.661 -1.375 . . . . 0.0 109.661 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.39 155.53 63.65 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 123.008 2.472 . . . . 0.0 112.07 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.65 -43.03 97.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.489 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 77.42 15.16 81.74 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 26.2 m -80.5 -7.3 59.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.75 0.309 . . . . 0.0 110.536 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 70.7 m -84.19 69.09 10.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.546 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.35 41.76 3.41 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.519 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 m -60.19 -39.39 86.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.334 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.01 -162.57 48.59 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 67.8 p -65.14 -30.68 71.63 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.864 0.364 . . . . 0.0 110.482 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.32 -19.16 0.54 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.5 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.0 mt -66.11 141.66 58.04 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.7 p -106.23 -6.12 18.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.457 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.02 -3.0 56.9 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.683 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.93 109.77 21.74 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 179.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.6 t80 -49.77 -22.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.57 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.4 m -72.11 -61.27 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.667 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -76.51 -32.33 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 96.3 m-20 -57.1 -45.3 83.5 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.901 -178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' CB ' HD11 ' A' ' 106' ' ' ILE . 13.9 m -60.2 -44.3 95.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.309 0.576 . . . . 0.0 110.168 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -67.18 -37.03 83.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.144 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 m -60.52 -50.72 72.42 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.881 -178.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.92 -38.1 81.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.301 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.472 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.3 mt -64.22 -47.72 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 0.0 110.59 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.75 84.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.415 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.9 m -69.88 -44.72 69.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.61 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.1 mt -66.15 -43.06 88.12 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.192 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 -58.01 -50.93 71.74 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.273 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -69.6 -34.36 74.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.911 0.386 . . . . 0.0 110.896 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.861 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -57.88 -49.3 77.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.965 -179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 pt -77.91 -22.41 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.839 0.352 . . . . 0.0 110.98 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -71.55 -39.64 70.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.3 OUTLIER -41.6 155.97 0.22 Allowed Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.758 -179.217 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.68 142.45 22.97 Favored 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.422 2.081 . . . . 0.0 111.717 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.666 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 2.4 pm0 -60.85 -6.46 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.845 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -99.39 1.94 44.76 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.995 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.12 131.54 88.79 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.048 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.88 -22.42 17.49 Favored 'Trans proline' 0 N--CA 1.496 1.648 0 C-N-CA 122.312 2.008 . . . . 0.0 112.237 179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.54 19.05 7.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.753 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -60.48 -42.39 96.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.373 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -68.8 -30.46 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.737 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -64.45 -49.76 70.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.903 0.383 . . . . 0.0 111.092 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.9 m -63.29 -33.42 61.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.527 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -60.08 -45.96 91.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.682 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.42 -43.83 96.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.605 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.0 m -63.26 -47.29 82.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.517 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.86 91.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.555 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -54.44 -42.4 70.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.943 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.59 -42.53 93.42 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.5 ' OE1' HD21 ' A' ' 7' ' ' LEU . 60.5 mm-40 -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 72' ' ' LEU . 89.0 mt -61.45 -54.99 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.342 -179.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 51' ' ' SER . 39.8 m-80 -64.85 -44.89 88.27 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.789 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.49 -36.73 84.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.95 -60.34 3.95 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.205 0.526 . . . . 0.0 111.772 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.81 -30.08 36.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.793 -179.095 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 47' ' ' ASN . 12.2 t -62.3 -50.94 69.66 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.683 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -70.4 -38.7 74.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.998 0.428 . . . . 0.0 110.51 -179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.556 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.2 m-85 -93.94 16.92 13.19 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.615 -179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 8.6 tpt180 -61.12 -43.87 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.689 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.2 mtp85 -87.23 2.06 51.21 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.742 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -59.91 -46.18 90.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.299 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.62 -8.02 0.03 OUTLIER Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 50.9 m-20 53.43 30.01 9.75 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.334 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 66.47 89.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.738 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.83 32.6 0.15 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.27 -32.33 0.09 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.75 117.76 34.79 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.33 0.586 . . . . 0.0 110.334 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -65.47 -41.91 92.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.313 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.0 t -61.64 -47.74 84.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.654 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -63.4 -47.27 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.67 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.3 m -63.74 -47.77 79.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.9 m -63.12 -45.24 92.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.169 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 66.7 mmm -63.88 -43.73 95.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -48.57 -55.19 11.81 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.859 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 94.9 m -67.64 -46.84 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.819 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.436 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -58.13 -52.66 64.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.346 -178.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.675 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.1 mp -63.28 -42.27 99.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.985 0.422 . . . . 0.0 110.766 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.549 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.6 m-20 -63.76 -34.8 78.7 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.0 m -64.84 -57.36 9.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.297 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.474 HD23 HD22 ' A' ' 95' ' ' LEU . 2.7 pp -70.71 -19.05 62.79 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.91 0.386 . . . . 0.0 110.73 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' LEU . . . -61.43 -38.16 86.16 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.273 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.54 -29.53 63.59 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -59.22 -40.19 85.04 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.919 0.39 . . . . 0.0 110.26 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -63.53 -42.88 98.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.47 -0.492 . . . . 0.0 111.283 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.6 p -88.6 -12.05 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.393 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 77' ' ' GLY . 19.3 t -60.32 -49.83 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.699 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -111.08 -24.95 10.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.776 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.31 -40.93 2.26 Favored Glycine 0 N--CA 1.467 0.725 0 N-CA-C 111.717 -0.553 . . . . 0.0 111.717 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -157.57 47.97 0.4 Allowed 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.713 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -113.61 114.81 47.12 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.08 133.97 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.196 1.931 . . . . 0.0 112.589 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 51.1 mt -56.19 133.64 75.17 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.493 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -47.3 149.64 3.92 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 C-N-CA 122.082 1.854 . . . . 0.0 112.508 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -65.39 -35.68 81.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.41 179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -62.14 -48.61 79.33 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.698 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.4 tp -69.38 -39.11 78.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.945 0.402 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -48.52 -44.51 36.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.43 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -62.99 -42.39 99.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.5 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.07 -43.17 99.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.79 -179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.492 HD23 ' OE1' ' A' ' 98' ' ' GLU . 98.5 mt -62.79 -40.63 97.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.995 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -53.03 -45.73 68.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.876 0.37 . . . . 0.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.513 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -66.69 -41.49 87.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.492 ' OE1' HD23 ' A' ' 95' ' ' LEU . 95.3 mt-10 -54.02 -45.63 71.61 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.569 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.472 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.2 m-85 -67.3 -36.85 82.37 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.99 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 84.9 m -58.23 -41.85 85.03 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.108 0.48 . . . . 0.0 110.277 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 97' ' ' LEU . 25.3 mt-30 -70.12 -31.65 69.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.737 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.87 15.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.639 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -61.99 -41.05 97.61 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.237 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.6 ptt85 -69.21 -28.49 66.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.241 0.543 . . . . 0.0 110.203 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.8 m -69.45 -27.21 65.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.692 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.6 mm -64.19 -42.79 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.394 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -51.7 -48.48 63.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.594 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -77.66 -20.54 53.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.568 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 58.69 61.18 7.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.583 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.368 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.531 ' O ' ' N ' ' A' ' -1' ' ' GLY . 55.6 Cg_endo -69.34 -20.75 36.42 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.679 2.253 . . . . 0.0 112.061 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 59.3 mt 58.1 -76.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' -3' ' ' PRO . . . 82.79 14.68 74.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 88.6 p -75.9 160.68 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.709 0.29 . . . . 0.0 110.47 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.7 p -83.58 114.55 21.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.555 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.78 -43.52 98.57 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.693 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t 54.05 81.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.01 112.17 0.32 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 46.3 p -66.41 -31.12 71.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.789 0.328 . . . . 0.0 110.646 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.77 -16.9 1.6 Allowed Glycine 0 CA--C 1.527 0.81 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.508 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.5 mt -70.39 147.65 49.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.731 0.3 . . . . 0.0 110.271 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.412 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.8 p -109.65 -6.81 15.22 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.638 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.78 -9.31 56.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.622 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -89.37 109.92 20.77 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 6.2 t80 -50.72 -25.44 4.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.776 -179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 t -68.99 -59.88 2.75 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -76.59 -31.16 57.32 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.466 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -58.06 -42.21 84.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.391 -178.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.623 HG23 ' SD ' ' A' ' 68' ' ' MET . 76.3 m -60.59 -45.92 92.17 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.146 0.498 . . . . 0.0 109.975 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 tt -66.35 -37.68 85.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.895 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 m -60.14 -50.97 71.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.266 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.32 -40.6 87.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.33 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 34.0 mt -62.27 -47.5 92.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.889 179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.0 -40.26 84.37 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.349 -0.54 . . . . 0.0 109.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 m -69.05 -44.49 72.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.25 -43.78 90.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.43 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -58.83 -49.34 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.432 -0.507 . . . . 0.0 111.494 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -69.59 -36.14 75.96 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.79 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.87 75.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.932 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt -78.21 -16.73 13.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.649 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.547 ' CG ' ' HZ1' ' A' ' 92' ' ' LYS . 49.9 t0 -95.02 9.62 38.76 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.79 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.58 152.84 70.36 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.681 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.86 150.93 44.96 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 122.14 1.893 . . . . 0.0 111.491 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.654 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.9 pm0 -62.65 -21.94 66.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.743 0.306 . . . . 0.0 110.795 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.1 p30 -85.73 1.68 48.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.733 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.43 124.24 77.39 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.637 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.25 -18.25 23.62 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.549 1.5 . . . . 0.0 112.138 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -99.13 20.29 13.71 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.625 -179.791 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -64.98 -41.52 95.36 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.566 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -73.44 -40.61 64.07 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.686 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -70.62 -45.02 66.02 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' ASN . 8.8 p -61.89 -32.87 55.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.662 0.267 . . . . 0.0 110.555 -178.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.547 HE22 ' C ' ' A' ' 84' ' ' ALA . 68.7 mt-30 -56.39 -46.27 80.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.34 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 40' ' ' ASP . 67.9 t0 -63.84 -35.47 80.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.37 -0.377 . . . . 0.0 109.993 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.7 m -60.87 -49.62 76.74 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.31 -39.14 82.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.982 0.42 . . . . 0.0 110.017 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.4 ttt-85 -54.34 -44.34 72.04 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.588 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.45 -40.35 96.23 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.508 ' OE1' HD21 ' A' ' 7' ' ' LEU . 52.8 mm-40 -62.53 -41.88 99.16 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.986 -0.286 . . . . 0.0 110.608 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.648 HG23 ' HB3' ' A' ' 72' ' ' LEU . 94.1 mt -61.37 -55.29 25.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.543 -179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -65.71 -42.38 91.18 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.97 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.55 ' CG ' HH21 ' A' ' 52' ' ' ARG . 59.1 t0 -64.48 -36.15 83.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.11 -61.54 2.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.896 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -29.07 40.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.038 -179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.7 t -62.73 -51.32 67.63 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.55 HH21 ' CG ' ' A' ' 48' ' ' ASP . 14.8 ptp180 -71.71 -38.55 70.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 54.8 m-85 -93.38 15.39 15.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -60.37 -44.97 95.11 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.617 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -86.06 2.57 46.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.665 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.264 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.2 -6.77 0.03 OUTLIER Glycine 0 CA--C 1.521 0.468 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.576 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 55.6 t0 54.1 25.7 5.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.16 168.22 0.3 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.758 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.51 -1.5 60.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -132.58 -41.07 0.19 Allowed Glycine 0 N--CA 1.465 0.617 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -108.17 124.78 50.77 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.908 0.385 . . . . 0.0 110.315 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.67 -42.4 95.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.357 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.4 t -61.7 -47.83 83.51 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -63.96 -47.31 80.93 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.979 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.5 m -64.29 -46.72 82.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.383 . . . . 0.0 110.67 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.2 m -62.87 -45.85 90.63 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.169 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.623 ' SD ' HG23 ' A' ' 15' ' ' THR . 77.7 mtp -64.64 -43.14 94.61 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.989 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.548 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.3 tt0 -47.32 -57.8 4.84 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.624 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -66.11 -45.91 79.48 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' HB1' ' OE1' ' A' ' 98' ' ' GLU . . . -60.03 -52.67 64.39 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 111.674 0.25 . . . . 0.0 111.674 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.648 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -62.85 -41.61 99.43 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 120.693 0.283 . . . . 0.0 110.346 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.548 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.4 m-20 -63.87 -38.05 89.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.411 . . . . 0.0 110.49 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.3 m -62.36 -56.25 20.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.333 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.546 HD23 HD22 ' A' ' 95' ' ' LEU . 2.9 pp -70.79 -22.97 62.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.851 0.358 . . . . 0.0 111.164 -179.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.34 -39.37 75.79 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.046 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.22 -30.11 63.35 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.403 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -59.48 -39.41 83.65 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.651 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -59.71 -41.56 91.07 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.104 -0.638 . . . . 0.0 110.461 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 22.7 p -89.99 -14.5 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.137 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 87.1 p -61.82 -49.42 76.35 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.979 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -110.11 -23.51 11.24 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.784 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 64.27 124.93 0.01 OUTLIER Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.547 ' C ' HE22 ' A' ' 39' ' ' GLN . . . 71.55 -49.84 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -57.26 140.13 79.08 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.412 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.21 161.99 39.54 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 122.364 2.043 . . . . 0.0 111.467 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.21 136.22 86.82 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.33 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -47.24 150.07 3.49 Favored 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.63 1.553 . . . . 0.0 112.21 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -66.23 -34.51 78.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.207 179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.04 -47.37 85.04 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.948 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 36.1 tp -66.13 -41.55 90.36 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.084 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.547 ' HZ1' ' CG ' ' A' ' 27' ' ' ASP . 85.7 tttt -49.11 -40.73 33.34 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.693 179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.31 -46.48 86.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.58 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -66.8 -41.61 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.033 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.546 HD22 HD23 ' A' ' 75' ' ' LEU . 84.3 mt -63.05 -41.06 99.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.704 0.287 . . . . 0.0 111.093 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -54.67 -45.53 73.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.18 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.568 ' O ' ' NE2' ' A' ' 101' ' ' GLN . 97.0 mt -65.69 -43.58 88.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.942 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' OE1' ' HB1' ' A' ' 71' ' ' ALA . 95.6 mt-10 -53.56 -42.77 67.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.023 -179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 26.8 m-85 -69.39 -35.88 76.22 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.456 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.1 m -58.88 -43.55 90.94 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.913 -0.402 . . . . 0.0 109.913 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.568 ' NE2' ' O ' ' A' ' 97' ' ' LEU . 3.2 mp0 -68.44 -33.18 73.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.473 179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.82 -51.85 20.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.81 -41.85 99.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -72.7 -26.15 61.5 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.956 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 2.4 t -69.39 -27.04 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.592 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD11 ' OG1' ' A' ' 15' ' ' THR . 8.4 mm -63.62 -42.81 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.398 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -51.46 -48.34 62.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.911 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -75.72 -16.48 60.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.001 0.429 . . . . 0.0 110.21 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.05 59.85 9.32 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.719 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.91 -18.78 46.81 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.698 2.266 . . . . 0.0 111.804 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' -1' ' ' GLY . 0.3 OUTLIER -93.66 1.12 56.7 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.622 -179.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' -2' ' ' LEU . . . -61.67 -43.41 99.3 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 4.4 t 51.14 64.53 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.724 0.297 . . . . 0.0 110.586 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.9 p -165.38 43.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.581 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.9 p-10 -71.38 144.71 49.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.532 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.7 p -151.34 130.25 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.57 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.0 110.43 0.01 OUTLIER Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 37.6 p -64.21 -40.5 96.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.327 . . . . 0.0 110.611 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 146.07 -17.96 1.75 Allowed Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.091 -0.804 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.507 HD21 ' OE1' ' A' ' 45' ' ' GLN . 57.1 mt -68.85 144.88 54.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 0.0 110.258 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -111.11 -6.49 14.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.665 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 101.31 -6.48 55.92 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.681 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -91.46 113.12 25.3 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 35.0 t80 -53.31 -24.76 12.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.17 -179.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 t -70.1 -59.54 2.84 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -76.56 -31.69 57.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.214 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.458 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -59.19 -42.87 91.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.759 -177.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.808 HG23 ' SD ' ' A' ' 68' ' ' MET . 73.9 m -60.55 -45.93 92.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.165 0.507 . . . . 0.0 109.869 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -66.61 -37.7 85.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.039 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 m -60.28 -50.79 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.231 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.41 -41.29 90.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.576 -0.449 . . . . 0.0 109.938 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.497 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.8 mt -62.11 -48.0 90.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.135 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.056 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.45 -40.38 86.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.7 m -68.96 -45.23 71.24 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.035 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.9 mt -64.7 -43.45 93.43 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.367 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -59.18 -50.76 72.81 Favored 'General case' 0 N--CA 1.462 0.149 0 C-N-CA 120.453 -0.499 . . . . 0.0 111.303 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -69.51 -35.68 75.73 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.814 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.802 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -56.92 -49.38 75.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.171 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.3 pt -77.95 -19.97 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.822 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -69.07 -39.3 79.17 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.252 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.2 OUTLIER -48.45 153.95 1.23 Allowed Pre-proline 0 CA--C 1.54 0.582 0 CA-C-O 120.688 0.28 . . . . 0.0 110.935 -179.09 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.18 143.82 32.57 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 121.952 1.768 . . . . 0.0 110.815 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.66 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -60.36 -16.71 37.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.995 0.426 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 31' ' ' ASP . 48.4 t0 -84.89 -2.24 57.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.076 -179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.34 131.92 89.99 Favored Pre-proline 0 CA--C 1.539 0.54 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.015 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.61 -15.93 24.22 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.824 1.682 . . . . 0.0 111.802 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -88.46 21.95 2.72 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.993 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' CZ ' HE21 ' A' ' 39' ' ' GLN . 26.3 tpt85 -58.13 -45.12 87.89 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -64.47 -33.13 75.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.236 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.45 -50.55 69.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.4 m -66.4 -39.45 84.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.462 HE21 ' CZ ' ' A' ' 35' ' ' ARG . 85.7 mt-30 -64.34 -50.02 69.43 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.988 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -66.02 -42.81 89.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.843 0.354 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.6 m -62.84 -47.29 84.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.645 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.27 91.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.419 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -50.71 -43.01 57.67 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.897 -0.408 . . . . 0.0 109.897 -179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.75 -42.68 97.03 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.507 ' OE1' HD21 ' A' ' 7' ' ' LEU . 58.2 mm-40 -62.17 -42.92 99.73 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 111.071 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.2 mt -59.94 -55.33 24.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.178 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -66.84 -42.88 85.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.394 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -64.11 -37.64 88.19 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.159 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.27 -60.18 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -71.81 -31.23 40.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.402 -179.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -60.89 -49.45 77.42 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 121.015 -0.274 . . . . 0.0 111.68 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -71.98 -39.01 69.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 110.742 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.1 m-85 -93.52 17.64 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.026 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 12.1 tpp85 -62.8 -42.83 99.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.947 0.403 . . . . 0.0 110.667 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -87.0 0.69 54.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.919 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.4 tttp -61.44 -47.14 87.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.905 0.383 . . . . 0.0 110.41 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -165.48 -0.4 0.04 OUTLIER Glycine 0 CA--C 1.519 0.302 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 58' ' ' ASP . 58.6 t0 50.29 32.1 5.9 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.457 ' HB2' ' NE2' ' A' ' 69' ' ' GLN . . . 56.47 96.15 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.052 0.453 . . . . 0.0 110.729 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.19 38.0 0.06 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 175.65 -26.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 6.0 mp -105.54 118.76 37.41 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -63.6 -42.63 98.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.818 0.342 . . . . 0.0 110.264 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.7 t -62.36 -50.05 73.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.256 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -66.08 -45.76 80.12 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.889 -0.325 . . . . 0.0 111.113 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 62' ' ' LEU . 63.9 p -63.32 -48.2 79.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.377 . . . . 0.0 110.62 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 79.8 m -63.35 -47.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.808 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.6 mtp -65.33 -40.27 93.48 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.535 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.5 tt0 -49.81 -52.07 34.93 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.376 -178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.0 m -69.08 -46.23 68.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.966 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.29 -47.13 86.55 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.806 0.336 . . . . 0.0 111.39 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.654 ' HB3' HG23 ' A' ' 46' ' ' ILE . 73.2 mt -62.21 -42.89 99.72 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.258 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 78.0 m-20 -66.4 -36.88 83.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.658 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.5 m -58.63 -54.09 51.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.507 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD23 HD22 ' A' ' 95' ' ' LEU . 2.4 pp -74.48 -27.93 60.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.084 -179.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -55.09 -30.54 59.89 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.512 -0.475 . . . . 0.0 109.868 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 81' ' ' SER . . . -73.85 -34.97 55.31 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.754 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.55 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 17.5 m-85 -58.69 -45.18 90.06 Favored 'General case' 0 C--N 1.334 -0.103 0 C-N-CA 120.809 -0.357 . . . . 0.0 110.804 -178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -63.23 -43.06 99.15 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.01 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 32.3 p -83.69 -17.39 41.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.77 0.319 . . . . 0.0 110.984 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 77' ' ' GLY . 13.7 t -61.05 -49.6 76.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.955 -179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -111.45 -24.46 10.15 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.028 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.34 -24.82 23.54 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.715 -0.554 . . . . 0.0 111.715 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.94 46.44 0.06 Allowed 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 117.108 0.454 . . . . 0.0 111.726 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -110.35 134.32 20.84 Favored Pre-proline 0 N--CA 1.47 0.537 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.405 ' HA ' HH21 ' A' ' 35' ' ' ARG . 40.6 Cg_endo -65.38 144.15 79.03 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.256 1.304 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 87' ' ' ILE . 31.6 mt -69.78 134.61 88.04 Favored Pre-proline 0 CA--C 1.542 0.66 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -48.74 154.57 2.93 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 C-N-CA 121.444 1.429 . . . . 0.0 112.561 178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' A' ' 89' ' ' GLU . 57.2 mp0 -68.34 -38.18 81.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.83 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 20.0 ptmt -64.71 -46.79 80.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.272 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 5.0 tp -63.72 -40.97 98.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.099 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -50.08 -45.68 52.71 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.72 -40.9 96.69 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.24 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -62.47 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.05 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.462 HD22 HD23 ' A' ' 75' ' ' LEU . 95.4 mt -63.96 -40.0 95.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.932 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -53.6 -44.92 69.83 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.26 -41.94 89.23 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.607 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -55.35 -35.52 65.32 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.058 0.456 . . . . 0.0 110.634 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.497 ' HB3' HG23 ' A' ' 19' ' ' ILE . 19.7 m-85 -83.81 -32.9 25.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.509 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.9 m -61.5 -44.75 96.52 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.203 0.525 . . . . 0.0 110.515 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -73.32 -31.43 63.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.513 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.37 -51.8 18.93 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.76 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.461 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.7 pp20? -60.31 -40.59 91.09 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 122.238 -0.289 . . . . 0.0 111.69 -179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 44.3 ptt85 -71.28 -30.27 66.08 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.057 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.0 m -64.77 -24.71 67.64 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.787 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CB ' ' A' ' 15' ' ' THR . 6.0 mm -60.82 -43.5 95.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.1 -35.44 80.28 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -65.9 -24.01 66.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.714 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.9 34.06 88.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.142 -0.933 . . . . 0.0 110.916 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.549 ' N ' ' CD ' ' A' ' -3' ' ' PRO . . . . . . . . 0 N--CA 1.491 2.3 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' -4' ' ' GLY . 27.8 Cg_exo -60.47 146.49 96.72 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.774 2.316 . . . . 0.0 111.936 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.5 mt -71.64 148.11 46.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.468 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 82.94 14.51 74.99 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -73.12 148.84 43.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.786 0.326 . . . . 0.0 110.288 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.0 m 41.09 86.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.77 -2.06 49.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.698 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -59.45 136.44 57.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.245 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.9 -113.21 0.01 OUTLIER Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.492 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 36.7 p -64.84 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.1 -18.07 0.54 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 HD21 ' OE1' ' A' ' 45' ' ' GLN . 38.8 mt -66.51 144.42 56.48 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -104.23 -6.8 20.6 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.466 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.15 -1.81 57.7 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.677 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -98.1 112.31 24.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.1 t80 -50.64 -24.87 3.61 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.663 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.5 t -69.84 -60.7 2.14 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -77.17 -31.88 55.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.303 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 92.9 m-20 -56.33 -43.83 79.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.738 -178.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.532 ' OG1' HD11 ' A' ' 106' ' ' ILE . 17.5 m -60.13 -44.69 94.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.4 tp -64.65 -40.55 95.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.674 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -59.3 -49.47 77.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.224 -178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.16 -38.43 81.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.317 -0.553 . . . . 0.0 109.961 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.454 HG23 ' HB3' ' A' ' 99' ' ' PHE . 29.6 mt -64.13 -47.43 90.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.046 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.26 -41.73 84.88 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.183 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.5 m -68.97 -43.33 75.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.671 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD21 HD11 ' A' ' 46' ' ' ILE . 23.5 mt -64.79 -44.34 90.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.76 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -59.77 -49.07 79.17 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.524 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -69.02 -34.16 74.79 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.672 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.833 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.51 -49.05 78.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.591 -179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.6 pt -78.37 -16.95 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.956 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -89.65 4.25 50.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.72 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.833 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -79.9 152.05 74.11 Favored Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.876 -179.542 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.06 149.49 46.63 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.358 2.039 . . . . 0.0 111.488 177.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 21.3 mp0 -63.59 -13.95 46.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.661 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -93.16 4.3 54.23 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.765 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.05 126.61 92.19 Favored Pre-proline 0 CA--C 1.542 0.64 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.08 -16.9 22.5 Favored 'Trans proline' 0 N--CA 1.494 1.55 0 C-N-CA 121.771 1.647 . . . . 0.0 111.995 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.442 ' O ' HG12 ' A' ' 38' ' ' VAL . 1.2 p-10 -96.27 16.56 17.99 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.4 ttp-105 -62.68 -44.4 96.34 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.576 -0.45 . . . . 0.0 110.5 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -72.81 -39.67 66.45 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.689 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -66.88 -48.65 68.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.214 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 34' ' ' ASN . 4.8 p -67.3 -34.55 69.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.691 -179.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -58.27 -49.84 75.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.342 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -65.39 -35.93 82.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.379 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.0 m -62.32 -46.44 88.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.285 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.0 -51.05 70.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.361 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -48.53 -39.32 22.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.147 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.39 -40.33 98.77 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.8 mm-40 -63.47 -41.97 98.59 Favored 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.558 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.474 HG23 ' HB3' ' A' ' 72' ' ' LEU . 2.3 mp -62.29 -52.16 63.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.825 -179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -63.33 -43.55 97.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.778 -178.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.15 -34.7 78.64 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.978 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -62.83 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.653 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -70.15 -34.3 58.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.129 -179.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.7 t -58.76 -50.2 74.81 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -71.34 -36.29 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.969 0.414 . . . . 0.0 110.485 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.552 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 51.5 m-85 -97.14 16.1 20.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.025 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' ILE . 21.2 tpt85 -61.26 -44.53 97.09 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.815 0.34 . . . . 0.0 110.687 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -86.65 2.31 48.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.837 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 50.8 tttm -59.66 -46.51 88.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.878 0.37 . . . . 0.0 110.335 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.42 -4.38 0.03 OUTLIER Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 46.6 t0 51.02 25.48 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.107 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.57 169.78 0.27 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.712 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.81 0.19 59.06 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.48 -40.36 0.13 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.9 mp -107.18 124.1 49.22 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.988 0.423 . . . . 0.0 110.151 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -64.96 -42.96 94.13 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.441 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 t -61.81 -47.88 83.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.662 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -62.9 -46.95 85.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.97 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.8 m -64.07 -47.61 79.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.2 m -63.51 -46.1 87.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.713 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.1 mmm -64.41 -42.87 95.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.425 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.568 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 11.9 tt0 -48.01 -58.52 4.33 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.325 -0.55 . . . . 0.0 110.837 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -66.58 -45.11 80.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.827 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.74 -51.92 67.9 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.6 mp -64.03 -40.96 97.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.978 0.418 . . . . 0.0 110.561 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 89.6 m-20 -64.36 -38.5 91.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -61.17 -57.81 10.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.605 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.458 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -68.06 -35.32 78.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 0.0 110.98 -179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.28 -26.05 50.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.454 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.16 -28.22 28.72 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.3 m-85 -62.82 -39.32 93.95 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 121.051 -0.26 . . . . 0.0 110.946 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -58.61 -45.08 89.93 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.828 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.3 t -86.4 -13.79 45.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.043 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.6 t -61.15 -50.91 71.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.837 0.351 . . . . 0.0 111.006 -179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CZ ' ' NH1' ' A' ' 85' ' ' ARG . 91.1 m-85 -111.33 -24.48 10.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 82.58 124.45 0.85 Allowed Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 42.08 42.71 2.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.481 0.181 . . . . 0.0 111.433 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.571 ' NH1' ' CZ ' ' A' ' 82' ' ' TYR . 68.5 ttt180 -112.43 132.49 22.13 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.468 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -73.55 124.92 9.68 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.716 1.611 . . . . 0.0 111.608 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 77.9 mt -50.94 126.51 25.23 Favored Pre-proline 0 CA--C 1.543 0.676 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.269 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -46.83 157.74 0.49 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.856 1.704 . . . . 0.0 112.601 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.71 -35.52 80.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.341 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -61.94 -49.5 75.88 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.589 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 78' ' ' TYR . 6.1 tp -69.36 -37.34 77.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.426 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -53.24 -46.02 69.0 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.808 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -62.3 -40.74 97.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.406 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.409 ' NH2' HD11 ' A' ' 91' ' ' LEU . 51.0 ttp180 -61.23 -45.6 93.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.78 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD22 HD23 ' A' ' 75' ' ' LEU . 98.8 mt -62.9 -40.0 96.21 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.036 -179.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -52.39 -44.85 65.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.52 -40.76 85.12 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.642 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.83 -35.12 66.02 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 121.012 0.434 . . . . 0.0 110.463 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG23 ' A' ' 19' ' ' ILE . 21.7 m-85 -81.59 -34.25 31.1 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 95.8 m -61.52 -45.71 93.05 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.008 0.433 . . . . 0.0 110.623 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.3 -32.08 68.22 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.695 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.87 -51.68 37.77 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.274 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.51 -39.12 92.5 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.115 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -66.07 -37.2 85.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.844 0.354 . . . . 0.0 110.383 178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.0 m -64.4 -27.05 68.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.068 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.532 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.6 mm -62.12 -43.5 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.15 -38.78 92.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.872 0.368 . . . . 0.0 110.513 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.39 -21.5 66.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.147 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 65.38 34.55 89.66 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.949 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.1 -36.63 77.44 Favored 'Trans proline' 0 C--N 1.307 -1.657 0 C-N-CA 122.711 2.274 . . . . 0.0 111.986 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 70.9 mt -99.56 130.62 45.81 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.391 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 154.78 49.71 0.01 OUTLIER Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 41.0 m -59.51 -42.63 92.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.433 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 40.3 t 40.39 32.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -81.15 86.58 6.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.416 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -72.32 140.25 48.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.094 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.36 106.88 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.515 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 62.4 p -65.42 -28.79 69.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.932 0.396 . . . . 0.0 110.239 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.66 -14.73 0.36 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.414 -0.674 . . . . 0.0 111.414 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD21 ' OE1' ' A' ' 45' ' ' GLN . 53.3 mt -65.81 141.72 58.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.084 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.4 p -101.07 -9.41 21.42 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.2 -179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.75 -6.2 58.67 Favored Glycine 0 N--CA 1.468 0.772 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.689 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -93.88 113.74 25.83 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.409 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.551 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 2.2 t80 -48.96 -22.78 0.92 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.824 -0.35 . . . . 0.0 110.571 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.9 m -71.7 -61.96 1.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.524 -0.47 . . . . 0.0 111.945 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -77.14 -32.11 56.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.367 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.447 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.9 m-20 -55.49 -44.87 76.92 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.762 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.453 ' OG1' HD11 ' A' ' 106' ' ' ILE . 11.4 m -61.6 -44.0 97.81 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.09 0.472 . . . . 0.0 109.812 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.7 tp -63.68 -41.66 98.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.912 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -59.57 -48.95 79.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.09 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.62 -38.04 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.157 -0.617 . . . . 0.0 109.784 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 99' ' ' PHE . 28.5 mt -63.53 -48.43 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.839 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.35 88.54 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.039 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -64.5 -45.78 85.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.11 -43.43 82.5 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.605 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -59.36 -48.59 81.07 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.575 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -68.29 -35.67 78.2 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.403 -0.519 . . . . 0.0 110.476 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.84 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.57 -50.69 72.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.68 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 13.8 pt -78.3 -18.72 13.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.332 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -87.93 1.63 53.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.998 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -77.39 154.49 81.84 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.532 -179.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.02 146.75 32.93 Favored 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 122.341 2.028 . . . . 0.0 111.052 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.55 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -64.02 -11.15 26.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.69 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -90.86 -0.88 57.85 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.03 122.83 85.49 Favored Pre-proline 0 CA--C 1.542 0.661 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.777 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -74.0 -16.62 22.85 Favored 'Trans proline' 0 N--CA 1.495 1.575 0 C-N-CA 121.733 1.622 . . . . 0.0 112.229 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.36 20.95 10.75 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.576 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.35 -43.62 96.3 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.43 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.3 tp60 -67.23 -31.89 72.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.605 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -63.1 -48.59 77.93 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.511 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.5 m -64.4 -33.25 61.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.653 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.24 -46.16 90.74 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.671 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -64.9 -43.31 93.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.858 0.361 . . . . 0.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.1 m -63.15 -45.58 91.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.567 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.08 96.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.489 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -55.51 -43.22 75.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.27 98.48 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.515 ' NE2' ' OG1' ' A' ' 5' ' ' THR . 59.2 mm-40 -62.85 -41.6 99.42 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.876 -0.329 . . . . 0.0 110.717 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 72' ' ' LEU . 96.5 mt -60.78 -54.54 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.799 -0.36 . . . . 0.0 111.283 -179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.5 m-80 -66.31 -43.42 86.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.448 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -64.17 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.143 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.46 -65.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' OE1' ' A' ' 69' ' ' GLN . 0.4 OUTLIER -67.07 -27.85 40.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 120.177 -0.609 . . . . 0.0 111.344 -179.034 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -63.68 -48.6 76.52 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.168 0.432 . . . . 0.0 112.168 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -76.58 -23.86 53.5 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.946 0.403 . . . . 0.0 110.772 -178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 41.0 m-85 -104.03 13.08 33.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.531 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -65.5 -47.85 74.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.75 0.309 . . . . 0.0 111.386 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.08 -9.07 59.88 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' HD22 ' A' ' 62' ' ' LEU . 0.9 OUTLIER -62.13 -46.77 87.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.024 -179.918 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.403 ' C ' ' N ' ' A' ' 59' ' ' ALA . . . -161.43 -7.85 0.04 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.396 -0.682 . . . . 0.0 111.396 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.542 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 6.4 p-10 42.29 27.17 0.07 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.738 0.304 . . . . 0.0 110.453 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 73.44 169.51 0.31 Allowed 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.561 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.83 0.7 57.5 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.08 -47.08 0.08 OUTLIER Glycine 0 N--CA 1.464 0.518 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.9 mp -98.55 125.03 43.65 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.036 0.445 . . . . 0.0 110.391 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -65.22 -42.58 93.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.59 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 t -61.75 -49.76 75.12 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.008 0.432 . . . . 0.0 110.932 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -62.65 -45.53 92.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.845 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 98.8 m -63.34 -46.16 87.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.885 0.374 . . . . 0.0 110.501 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 74.5 m -62.9 -44.8 95.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.359 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.9 mmm -63.38 -41.37 98.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.207 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 1.0 OUTLIER -46.4 -59.31 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.833 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.7 m -68.81 -44.51 73.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.275 -0.42 . . . . 0.0 112.045 -179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.57 -52.31 65.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.823 0.344 . . . . 0.0 111.407 -178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.656 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.9 mp -65.06 -41.2 95.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.895 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.554 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 73.2 m-20 -63.85 -39.63 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.338 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.9 m -59.59 -54.75 42.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.627 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 95' ' ' LEU . 3.2 pp -73.17 -22.03 60.57 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.199 -179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.92 -40.99 90.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.1 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -70.73 -28.41 70.88 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -62.28 -39.86 94.32 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.787 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -61.49 -42.49 98.88 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.598 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 80' ' ' THR . 0.7 OUTLIER -90.78 -31.2 16.61 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.0 t -61.44 -45.51 93.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 111.025 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -104.0 -21.6 13.59 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.29 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.38 -137.3 13.35 Favored Glycine 0 CA--C 1.527 0.832 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.481 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . -68.34 -7.2 29.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.746 0.308 . . . . 0.0 111.275 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -56.6 133.31 77.71 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.141 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -69.37 149.81 69.85 Favored 'Trans proline' 0 N--CA 1.493 1.452 0 C-N-CA 121.667 1.578 . . . . 0.0 111.402 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.83 135.92 96.5 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.136 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -50.01 150.1 10.6 Favored 'Trans proline' 0 N--CA 1.491 1.342 0 C-N-CA 121.56 1.506 . . . . 0.0 111.829 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -65.22 -36.11 83.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.046 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.57 -47.85 84.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.477 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.6 tp -69.08 -38.82 79.22 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -50.95 -45.91 60.91 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.568 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -59.43 -43.16 93.16 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.348 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -64.43 -41.42 96.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.131 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 75' ' ' LEU . 82.4 mt -62.68 -40.46 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.209 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -53.75 -46.9 71.07 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.124 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.539 ' C ' HE21 ' A' ' 101' ' ' GLN . 10.8 mp -65.62 -40.93 93.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.77 179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -54.43 -45.42 73.0 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.547 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.453 ' HB3' HG23 ' A' ' 19' ' ' ILE . 25.6 m-85 -68.39 -34.98 77.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.758 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.447 ' O ' ' CG ' ' A' ' 104' ' ' ARG . 77.2 m -59.96 -43.09 95.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.168 0.508 . . . . 0.0 109.9 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.539 HE21 ' C ' ' A' ' 97' ' ' LEU . 29.3 mt-30 -67.62 -35.25 78.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.375 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.436 ' HB3' HD11 ' A' ' 19' ' ' ILE . . . -69.4 -52.42 27.08 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.82 -179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.4 OUTLIER -66.0 -33.67 76.33 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.294 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' THR . 36.3 mmm-85 -64.64 -38.71 91.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.98 0.419 . . . . 0.0 110.342 179.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.0 m -69.45 -26.33 64.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.453 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.0 mm -62.77 -42.22 95.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.378 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -51.2 -47.54 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.437 -179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -79.8 -21.13 44.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.528 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.43 ' O ' ' OXT' ' A' ' 110' ' ' VAL . . . 61.94 63.8 4.47 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.43 ' OXT' ' O ' ' A' ' 109' ' ' GLY . 3.5 m . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.603 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -59.92 146.69 95.23 Favored 'Trans proline' 0 N--CA 1.497 1.686 0 C-N-CA 122.841 2.361 . . . . 0.0 112.06 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.99 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.319 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . 84.56 22.57 53.38 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.2 t -61.72 145.11 53.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.511 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.4 m 57.46 -150.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.2 t0 58.67 39.93 23.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m -59.36 -40.99 88.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.405 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.01 92.78 1.48 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' NE2' ' A' ' 45' ' ' GLN . 71.8 p -67.66 -32.35 72.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.489 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.87 -19.29 0.5 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 HD21 ' OE1' ' A' ' 45' ' ' GLN . 44.1 mt -65.77 139.26 58.33 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.421 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.4 p -102.22 -5.72 24.02 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.882 0.372 . . . . 0.0 110.316 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 99.59 -3.72 57.79 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.65 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.9 110.6 22.26 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.614 -0.345 . . . . 0.0 110.162 179.213 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.539 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 1.8 t80 -49.41 -23.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.916 -0.313 . . . . 0.0 110.545 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.8 m -71.82 -61.9 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -76.14 -31.99 58.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.141 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 94.9 m-20 -58.09 -44.59 87.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.961 -178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 106' ' ' ILE . 10.1 m -60.25 -45.15 94.26 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.762 -0.458 . . . . 0.0 109.762 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 tt -66.25 -38.08 87.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.09 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 m -59.4 -49.86 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.93 -37.69 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 99' ' ' PHE . 35.8 mt -63.41 -47.77 90.27 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.788 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.88 80.42 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.314 -0.554 . . . . 0.0 110.297 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.4 m -71.45 -43.5 66.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.95 -43.02 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.641 -0.423 . . . . 0.0 111.403 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' NH2' ' N ' ' A' ' 100' ' ' THR . 93.8 mtt-85 -59.71 -48.92 79.78 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.737 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -69.02 -33.93 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.964 0.411 . . . . 0.0 110.241 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.86 80.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.694 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.655 HD12 ' HG3' ' A' ' 92' ' ' LYS . 47.6 pt -78.29 -21.9 13.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.367 . . . . 0.0 111.151 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -70.27 -39.79 74.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.789 -178.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 28' ' ' LEU . 2.8 pp -50.44 144.65 11.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 -178.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -73.9 141.3 29.95 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 122.133 1.889 . . . . 0.0 112.556 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.61 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.3 OUTLIER -52.46 -19.58 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.711 179.646 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -80.74 -6.41 58.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.743 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.616 ' HB3' HD13 ' A' ' 28' ' ' LEU . . . -70.94 125.62 92.03 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.855 -179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.92 -14.23 21.4 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.727 1.618 . . . . 0.0 112.354 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.34 14.87 17.07 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.796 0.332 . . . . 0.0 110.677 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.508 ' NH1' ' O ' ' A' ' 30' ' ' GLN . 25.8 ttp-105 -60.98 -43.57 98.63 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.312 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' OE1' ' O ' ' A' ' 83' ' ' GLY . 0.9 OUTLIER -66.78 -31.79 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.975 179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.05 -50.13 73.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.804 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' CD2' ' A' ' 28' ' ' LEU . 30.9 m -65.94 -33.43 63.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.741 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -57.08 -44.82 83.47 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -63.62 -44.73 93.09 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.585 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.7 m -64.26 -46.64 82.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 111.032 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.65 -37.62 88.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -59.14 -43.47 92.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -64.5 -41.54 97.9 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.494 ' OE1' HD21 ' A' ' 7' ' ' LEU . 57.9 mm-40 -62.89 -42.57 99.82 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.722 0.296 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.686 HD11 HD11 ' A' ' 75' ' ' LEU . 90.2 mt -60.93 -55.13 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.953 -179.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -65.19 -44.41 88.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.284 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.19 -43.96 96.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.479 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -51.27 -64.59 0.76 Allowed 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.591 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -67.52 -41.57 86.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.893 -179.183 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -51.61 -48.21 63.34 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.962 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -77.74 -27.67 50.56 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.106 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 39.9 m-85 -103.26 10.99 37.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.403 -178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 50' ' ' ILE . 3.2 mmt180 -65.63 -36.94 85.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.474 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -84.58 -1.27 55.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 51.0 tttm -63.24 -45.27 92.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.353 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.78 -4.82 0.03 OUTLIER Glycine 0 CA--C 1.521 0.439 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.584 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 59.3 t0 52.04 27.73 4.73 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 109.981 -179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.584 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 75.76 169.59 0.27 Allowed 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.878 0.371 . . . . 0.0 110.598 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.65 3.05 55.31 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -141.4 -43.65 0.06 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.8 mp -102.21 123.39 45.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.123 0.487 . . . . 0.0 110.231 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.55 -41.67 96.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.357 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.508 ' HG ' ' HH ' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -62.82 -49.39 75.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.712 -179.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -63.08 -46.06 89.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.542 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.2 m -63.92 -48.13 77.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.4 m -63.2 -45.91 89.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 68.8 mmm -63.8 -42.53 97.68 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.482 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.536 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.7 tt0 -50.62 -51.49 48.23 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.374 -179.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.5 m -69.5 -45.69 68.32 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.818 -0.353 . . . . 0.0 111.857 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.15 -49.49 77.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.779 0.323 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.9 mp -63.22 -42.52 99.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.337 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 65.0 m-20 -65.22 -41.02 94.83 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.175 179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.8 t -62.81 -52.97 61.07 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.686 HD11 HD11 ' A' ' 46' ' ' ILE . 0.5 OUTLIER -64.07 -34.01 77.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -35.28 75.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.297 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.49 -39.91 95.91 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -64.18 -34.71 78.7 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.833 0.349 . . . . 0.0 110.687 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -60.13 -47.35 86.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.491 -179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -81.34 -16.79 51.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.6 t -60.73 -46.42 90.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.797 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -109.41 -24.25 11.13 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.49 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.442 ' O ' ' OE1' ' A' ' 36' ' ' GLN . . . 66.34 22.69 71.31 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 179.88 -50.65 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.733 0.301 . . . . 0.0 110.997 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -56.87 129.5 77.98 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.63 -178.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.45 160.87 45.77 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.09 1.86 . . . . 0.0 111.951 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 26' ' ' ILE . 33.9 mt -51.88 132.16 38.71 Favored Pre-proline 0 CA--C 1.54 0.584 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.822 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.15 155.66 4.39 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 121.704 1.603 . . . . 0.0 112.261 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -65.25 -36.21 83.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.85 -49.58 74.31 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.559 -0.456 . . . . 0.0 110.846 -179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.5 tp -71.01 -35.32 72.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.321 179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.655 ' HG3' HD12 ' A' ' 26' ' ' ILE . 64.4 tttm -49.55 -39.47 34.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -59.47 -42.41 91.99 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.734 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -65.96 -41.58 91.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.444 HD11 ' HB3' ' A' ' 75' ' ' LEU . 3.6 mm? -61.42 -41.95 97.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.294 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.642 HE21 HD11 ' A' ' 26' ' ' ILE . 54.7 mm-40 -57.6 -45.73 84.92 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.279 -0.569 . . . . 0.0 109.922 179.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.13 -42.02 89.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.002 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -55.27 -36.6 66.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.783 0.325 . . . . 0.0 110.656 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 19' ' ' ILE . 28.5 m-85 -83.51 -30.97 26.71 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.976 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.438 ' N ' ' NH2' ' A' ' 23' ' ' ARG . 15.4 m -61.09 -45.89 92.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.739 0.304 . . . . 0.0 110.741 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -71.69 -33.29 68.67 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.592 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.434 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -62.82 -51.03 68.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.409 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -65.17 -36.19 83.45 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.792 0.33 . . . . 0.0 110.366 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.89 -39.44 90.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 59.5 p -65.08 -27.17 68.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.454 HD11 ' OG1' ' A' ' 15' ' ' THR . 6.8 mm -64.08 -42.77 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.178 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -51.38 -48.68 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.509 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -78.65 -20.02 51.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.647 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 110' ' ' VAL . . . 62.65 62.08 5.89 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 109' ' ' GLY . 6.8 m . . . . . 0 C--O 1.219 -0.533 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.65 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.24 152.51 75.87 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.813 2.342 . . . . 0.0 112.068 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 72.8 mt -76.03 144.89 40.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.266 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -170.91 -149.67 6.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 1' ' ' CYS . 90.9 p -60.6 -35.5 76.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.346 . . . . 0.0 110.594 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' O ' ' A' ' 0' ' ' SER . 65.5 m 49.17 98.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.573 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 93.1 m-20 -66.78 140.76 57.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.413 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -141.98 143.77 33.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.511 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.86 20.28 61.63 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 82.0 p -64.4 -32.86 74.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.375 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.79 -19.91 0.51 Allowed Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 HD21 ' OE1' ' A' ' 45' ' ' GLN . 37.3 mt -67.73 145.85 54.33 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 3.5 p -111.53 -6.35 14.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.462 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.417 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 102.25 -2.89 50.8 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.627 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -93.24 112.47 24.41 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 179.125 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 7.3 t80 -53.87 -24.04 14.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.635 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.8 t -71.28 -59.89 2.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -76.55 -31.67 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.505 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -57.04 -43.63 82.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.804 -178.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.615 HG23 ' SD ' ' A' ' 68' ' ' MET . 68.0 m -59.76 -45.75 91.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.063 0.459 . . . . 0.0 110.314 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tt -67.39 -37.01 82.47 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.009 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.2 m -61.25 -51.66 68.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.041 -178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.65 -40.97 89.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.386 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG23 ' HB3' ' A' ' 99' ' ' PHE . 33.3 mt -62.1 -47.34 93.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.59 179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.17 -37.83 78.32 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.674 -0.411 . . . . 0.0 110.384 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 96.0 m -71.7 -44.12 64.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.696 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.6 mt -66.06 -43.73 86.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.328 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -57.8 -50.46 73.18 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.538 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -70.02 -33.94 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.901 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.83 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -60.76 -49.17 78.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.568 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 87' ' ' ILE . 13.1 pt -77.42 -15.87 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.691 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 51.8 t0 -89.46 3.78 51.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.484 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -78.28 152.3 78.81 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.501 -179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.74 149.63 43.4 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.438 2.092 . . . . 0.0 111.491 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.535 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 1.2 mp0 -62.57 -18.31 61.83 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.682 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -89.76 4.76 48.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.96 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.75 125.85 88.55 Favored Pre-proline 0 CA--C 1.539 0.556 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.961 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -74.89 -15.91 20.77 Favored 'Trans proline' 0 N--CA 1.499 1.807 0 C-N-CA 121.963 1.776 . . . . 0.0 112.113 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.44 ' O ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.62 17.16 19.82 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.452 -179.757 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.634 HH12 ' C ' ' A' ' 84' ' ' ALA . 63.7 ttp85 -65.18 -39.01 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.939 0.4 . . . . 0.0 110.266 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 63.6 tp60 -73.77 -41.64 62.15 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.568 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -70.73 -45.35 65.04 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.874 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 34' ' ' ASN . 9.8 p -62.18 -33.28 57.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.346 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -57.11 -47.97 79.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.237 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -39.02 92.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.321 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.8 m -62.36 -47.04 85.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.791 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.62 90.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.383 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -55.31 -42.53 73.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.947 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.39 -43.5 99.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.501 ' OE1' HD21 ' A' ' 7' ' ' LEU . 62.4 mm-40 -62.73 -42.17 99.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.666 HD11 HD11 ' A' ' 75' ' ' LEU . 93.2 mt -61.5 -54.65 32.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -64.59 -44.68 89.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.98 -178.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.412 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 91.2 m-20 -63.71 -36.96 85.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.486 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.72 -59.17 5.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.054 0.454 . . . . 0.0 111.548 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -71.96 -33.33 47.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.07 -179.178 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.5 t -60.39 -50.45 73.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -70.83 -40.0 72.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.546 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 52.2 m-85 -93.16 16.86 12.04 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.7 -179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' ILE . 14.2 tpt180 -61.5 -45.65 93.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.457 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -84.23 1.38 44.9 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HZ1' HD21 ' A' ' 62' ' ' LEU . 46.8 tttm -59.98 -46.59 88.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.365 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.85 -5.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 58.4 t0 51.6 29.18 5.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 68.0 89.3 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.754 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.35 34.07 0.17 Allowed Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.27 -30.54 0.09 OUTLIER Glycine 0 CA--C 1.522 0.49 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD21 ' HZ1' ' A' ' 56' ' ' LYS . 6.3 mp -102.14 118.08 36.13 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.074 0.464 . . . . 0.0 110.431 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -65.31 -41.88 93.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.313 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.3 -48.9 79.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.045 0.45 . . . . 0.0 110.504 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -62.9 -47.06 84.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.808 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.0 m -64.74 -47.1 79.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.839 -179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.7 m -63.14 -46.3 87.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.711 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.615 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.0 mtp -65.17 -41.43 94.65 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.69 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.538 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 13.2 tt0 -46.98 -55.59 7.87 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.371 -0.531 . . . . 0.0 110.656 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 99.7 m -70.37 -43.26 70.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.845 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.46 -52.22 66.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.732 0.301 . . . . 0.0 111.417 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.641 ' HB3' HG23 ' A' ' 46' ' ' ILE . 10.8 mp -63.52 -41.75 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.615 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 74.8 m-20 -64.56 -37.3 87.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.82 0.343 . . . . 0.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.4 m -60.18 -56.59 19.68 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.854 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.666 HD11 HD11 ' A' ' 46' ' ' ILE . 2.6 pp -69.95 -28.6 65.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.584 -179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -59.27 -29.05 67.29 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.981 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 81' ' ' SER . . . -73.61 -32.86 58.98 Favored Glycine 0 CA--C 1.528 0.863 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.51 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 10.0 m-85 -59.04 -45.09 91.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.9 0.35 . . . . 0.0 110.598 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 83' ' ' GLY . 32.7 m-85 -60.56 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.145 -0.622 . . . . 0.0 111.171 -179.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.0 p -76.4 -38.94 54.94 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 70.7 m -61.18 -44.56 97.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 -179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -100.17 -22.92 14.99 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.731 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 93.51 -112.02 4.23 Favored Glycine 0 N--CA 1.464 0.528 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.634 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -104.41 52.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.834 -0.183 . . . . 0.0 110.898 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.58 ' CA ' HH12 ' A' ' 35' ' ' ARG . 37.3 mmt-85 -113.73 142.29 27.48 Favored Pre-proline 0 N--CA 1.469 0.484 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -70.2 140.0 40.02 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.132 1.888 . . . . 0.0 111.911 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.425 HD12 HG22 ' A' ' 26' ' ' ILE . 42.6 mt -69.73 135.93 87.95 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.17 158.91 52.25 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.811 1.674 . . . . 0.0 111.975 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 4.1 pm0 -63.8 -33.44 75.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.808 -179.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.531 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 18.2 ptmt -53.18 -47.82 68.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.815 -179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' N ' ' CG ' ' A' ' 90' ' ' LYS . 31.8 tp -73.88 -39.77 63.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -52.77 -44.23 66.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.404 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.86 -43.41 98.4 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.464 -0.495 . . . . 0.0 110.399 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.416 ' O ' ' OE2' ' A' ' 98' ' ' GLU . 84.0 mtp180 -66.21 -44.12 84.76 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.709 -0.397 . . . . 0.0 111.372 -179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.23 -39.28 93.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.498 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 -51.88 -45.49 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.778 0.323 . . . . 0.0 110.347 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.505 ' C ' HE21 ' A' ' 101' ' ' GLN . 4.2 mm? -65.85 -41.3 91.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -55.64 -45.92 77.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.715 0.293 . . . . 0.0 110.237 -179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB3' HG23 ' A' ' 19' ' ' ILE . 24.9 m-85 -67.16 -35.74 80.33 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.777 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.4 m -59.59 -43.13 93.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.136 0.493 . . . . 0.0 110.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.505 HE21 ' C ' ' A' ' 97' ' ' LEU . 26.3 mt-30 -69.72 -32.67 71.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.721 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -71.89 -53.2 13.92 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.408 -179.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -61.37 -40.18 93.36 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.742 0.306 . . . . 0.0 110.52 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.32 -37.1 84.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.369 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.4 m -62.68 -28.71 70.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.499 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.9 mm -63.25 -42.77 97.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.389 -179.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -51.63 -48.8 63.18 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.681 -0.407 . . . . 0.0 110.707 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -79.85 -16.57 55.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 54.36 66.0 3.1 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.665 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.4 -18.29 43.97 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.564 2.176 . . . . 0.0 111.934 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . 0.539 ' H ' HD23 ' A' ' -2' ' ' LEU . 0.1 OUTLIER -79.31 132.35 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.329 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -178.56 20.44 0.04 OUTLIER Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 70.1 m -59.98 -38.59 83.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.435 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 0' ' ' SER . 14.1 p 42.16 32.97 0.35 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -82.42 -180.0 7.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.422 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -137.82 156.53 47.84 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.522 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.16 139.98 0.1 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.488 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 21.8 p -67.7 -36.19 80.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.71 0.29 . . . . 0.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.97 -18.12 1.96 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.564 HD21 ' OE1' ' A' ' 45' ' ' GLN . 51.3 mt -68.17 142.75 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CG ' ' A' ' 10' ' ' ASN . 1.3 p -104.23 -7.38 20.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.29 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.24 -4.63 57.18 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.639 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -94.94 112.71 24.4 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.827 -0.435 . . . . 0.0 109.827 179.004 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.54 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 3.4 t80 -51.6 -24.7 5.74 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.747 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -70.08 -60.93 1.99 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -76.29 -31.64 58.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.439 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.508 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.2 m-20 -56.83 -43.53 81.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.727 -178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.78 HG23 ' SD ' ' A' ' 68' ' ' MET . 72.7 m -59.41 -45.36 91.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.179 0.514 . . . . 0.0 109.856 179.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.44 -40.33 95.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.505 178.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.7 m -59.56 -51.23 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.404 -178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.12 -41.38 91.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.108 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 99' ' ' PHE . 30.0 mt -63.13 -47.48 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 120.742 0.306 . . . . 0.0 111.162 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.23 80.99 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.17 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.4 m -70.25 -44.27 68.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.068 0.461 . . . . 0.0 111.039 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 47.2 mt -66.11 -43.77 86.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.506 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -58.55 -48.41 80.96 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.267 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -68.63 -35.72 77.67 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.799 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -61.37 -51.49 68.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.806 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.6 pt -78.5 -17.25 13.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.483 ' HB2' ' HZ1' ' A' ' 92' ' ' LYS . 54.6 t0 -96.11 8.94 42.48 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.079 -179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.799 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -80.34 153.93 74.19 Favored Pre-proline 0 CA--C 1.54 0.577 0 C-N-CA 120.979 -0.289 . . . . 0.0 110.727 -179.582 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.25 148.18 38.59 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.987 1.791 . . . . 0.0 111.282 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.628 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 13.6 mp0 -65.46 -11.24 41.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.733 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -90.81 -1.14 57.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.761 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.62 122.81 84.93 Favored Pre-proline 0 CA--C 1.543 0.704 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.594 -179.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.64 -18.22 22.59 Favored 'Trans proline' 0 N--CA 1.495 1.591 0 C-N-CA 121.591 1.528 . . . . 0.0 112.105 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.548 ' C ' HD22 ' A' ' 34' ' ' ASN . 0.4 OUTLIER -96.45 21.1 9.61 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.643 -179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.272 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.594 ' OE1' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -68.31 -31.72 71.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.6 tp10 -64.75 -47.84 76.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.343 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.7 m -63.47 -32.96 58.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.69 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.549 HE22 ' C ' ' A' ' 84' ' ' ALA . 85.8 mt-30 -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.782 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -67.75 -36.67 80.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.322 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.7 m -62.46 -49.13 76.66 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.621 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.4 -37.86 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.008 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -50.77 -44.13 58.57 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.07 -42.38 96.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' OE1' HD21 ' A' ' 7' ' ' LEU . 54.4 mm-40 -60.79 -42.82 98.31 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.896 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.704 HG23 ' HB3' ' A' ' 72' ' ' LEU . 95.8 mt -58.75 -56.05 19.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.221 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.6 -42.94 86.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.445 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -64.0 -38.74 92.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.359 -178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -59.16 -59.32 5.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.948 0.404 . . . . 0.0 111.592 -179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -71.12 -37.07 65.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.309 -179.499 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.8 t -56.6 -49.43 74.94 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -71.97 -37.41 69.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.547 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.54 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 49.3 m-85 -95.82 16.3 17.95 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.164 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.544 ' N ' ' O ' ' A' ' 50' ' ' ILE . 22.7 tpt85 -61.7 -43.99 97.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.393 . . . . 0.0 110.494 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -86.73 2.27 49.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.885 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.4 tttp -58.81 -46.29 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.884 0.373 . . . . 0.0 110.341 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -170.62 -4.99 0.03 OUTLIER Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 62.6 m-20 51.96 29.09 5.77 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 70.45 169.94 0.31 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.69 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 99.52 -2.7 57.51 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.49 -44.85 0.12 Allowed Glycine 0 N--CA 1.464 0.558 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.4 mp -102.61 124.05 47.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.003 0.43 . . . . 0.0 110.184 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -65.41 -42.2 92.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.367 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 t -61.23 -48.76 79.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -62.78 -46.4 88.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.826 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 26.9 m -63.84 -47.6 80.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.927 0.394 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 72.1 m -63.68 -47.34 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.8 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . 0.78 ' SD ' HG23 ' A' ' 15' ' ' THR . 94.7 mtp -65.38 -39.84 92.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.972 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 14.2 tt0 -50.33 -53.59 27.75 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.411 -0.516 . . . . 0.0 110.541 -179.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.8 m -71.98 -44.08 64.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.537 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.61 -50.03 74.47 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.704 ' HB3' HG23 ' A' ' 46' ' ' ILE . 65.0 mt -61.43 -41.8 97.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.426 -179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 82.9 m-20 -66.91 -37.16 83.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.904 0.383 . . . . 0.0 110.483 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.8 m -59.04 -51.52 69.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.69 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.402 HD11 HD11 ' A' ' 46' ' ' ILE . 2.7 pp -76.19 -25.89 55.62 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.957 -179.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.461 ' HB2' HG21 ' A' ' 46' ' ' ILE . . . -54.88 -31.74 60.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.067 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.86 -29.85 41.01 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CZ ' HD22 ' A' ' 91' ' ' LEU . 6.1 m-85 -60.29 -39.15 85.86 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.899 -0.321 . . . . 0.0 110.652 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.34 -41.12 92.92 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.519 -179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.8 p -89.77 -14.27 34.92 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.094 -0.243 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.46 ' OG ' ' CD2' ' A' ' 82' ' ' TYR . 92.8 p -62.45 -49.08 76.85 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.956 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.46 ' CD2' ' OG ' ' A' ' 81' ' ' SER . 87.0 m-85 -110.39 -23.66 11.05 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.005 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.586 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . 63.8 121.68 0.01 OUTLIER Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.594 ' HB2' ' OE1' ' A' ' 36' ' ' GLN . . . 75.53 -53.02 0.65 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -57.61 139.14 81.66 Favored Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.589 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -73.52 166.29 30.23 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 122.614 2.209 . . . . 0.0 111.726 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.9 mt -70.13 135.84 87.05 Favored Pre-proline 0 CA--C 1.542 0.657 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.235 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -48.81 150.41 6.47 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 121.694 1.596 . . . . 0.0 112.364 178.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.99 -34.48 78.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.265 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -61.98 -50.17 73.18 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.213 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.504 HD22 ' CZ ' ' A' ' 78' ' ' TYR . 3.4 tp -67.21 -42.63 83.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.483 ' HZ1' ' HB2' ' A' ' 27' ' ' ASP . 62.7 tttp -42.08 -45.32 3.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.113 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -60.37 -40.61 91.45 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.825 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.13 -43.86 97.22 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.096 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.0 mm? -66.52 -39.03 88.44 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.729 0.299 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -51.97 -43.83 63.74 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.95 -41.59 86.69 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -55.46 -35.18 65.2 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.997 0.427 . . . . 0.0 110.682 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.443 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.7 m-85 -83.53 -32.44 25.88 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.4 m -60.71 -44.87 96.05 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.057 0.456 . . . . 0.0 110.506 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -73.36 -30.97 63.67 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.454 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' O ' ' OG ' ' A' ' 105' ' ' SER . . . -72.41 -51.39 20.59 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.677 -179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 104' ' ' ARG . 1.9 pp20? -62.29 -40.19 95.45 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.341 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 9.9 ptm180 -71.09 -38.49 72.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.42 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 102' ' ' ALA . 31.2 p -59.5 -24.41 63.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.085 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.476 HD11 ' OG1' ' A' ' 15' ' ' THR . 7.5 mm -60.94 -43.46 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.926 179.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -63.41 -35.55 80.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.172 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -66.4 -23.68 66.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.461 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 63.91 34.04 88.87 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.042 -0.98 . . . . 0.0 111.038 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -59.1 147.4 90.59 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 C-N-CA 122.743 2.296 . . . . 0.0 112.102 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' LEU . . . . . . . . . . . . . 73.1 mt -69.01 144.56 54.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.386 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLY . . . . . . . . . . . . . . . -65.29 147.49 50.82 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 2' ' ' ASP . 29.5 p -155.6 163.02 40.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.387 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.6 m 47.92 19.04 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.598 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 0' ' ' SER . 99.0 m-20 -62.09 -44.4 96.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.624 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -162.86 -140.8 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.543 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 123.7 8.01 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' NE2' ' A' ' 45' ' ' GLN . 61.3 p -71.48 -23.06 61.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.931 0.396 . . . . 0.0 110.596 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.82 -19.52 0.5 Allowed Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD21 ' OE1' ' A' ' 45' ' ' GLN . 45.8 mt -66.79 144.41 56.33 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 10' ' ' ASN . 1.5 p -104.81 -6.36 20.34 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.344 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' OH ' ' A' ' 53' ' ' TYR . . . 100.57 -7.58 57.96 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.637 ' H ' ' ND2' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -92.48 114.29 26.8 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' N ' ' OH ' ' A' ' 53' ' ' TYR . 32.1 t80 -52.62 -25.85 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.275 -179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.9 t -70.12 -59.59 2.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -76.66 -31.97 57.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 111.506 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.6 m-20 -57.03 -44.21 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.716 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.503 ' CB ' HD11 ' A' ' 106' ' ' ILE . 17.3 m -60.36 -45.15 94.52 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.9 tp -63.24 -41.09 99.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.6 m -58.68 -49.55 77.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.233 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.41 -38.23 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.122 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.462 HG23 ' HB3' ' A' ' 99' ' ' PHE . 31.7 mt -63.26 -47.95 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.914 178.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.77 84.48 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.452 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.1 m -68.86 -44.72 72.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.921 0.391 . . . . 0.0 110.959 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 74.6 mt -66.73 -43.41 84.3 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.572 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 91.1 mtt-85 -58.12 -49.49 76.79 Favored 'General case' 0 N--CA 1.463 0.185 0 C-N-CA 120.404 -0.519 . . . . 0.0 111.41 -179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.28 -35.93 76.54 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.773 ' O ' HD22 ' A' ' 28' ' ' LEU . . . -59.64 -49.99 75.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.593 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.09 -18.27 13.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 111.086 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 27' ' ' ASP . 52.5 t0 -94.49 10.43 34.59 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.846 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.773 HD22 ' O ' ' A' ' 25' ' ' ALA . 0.5 OUTLIER -81.34 154.48 71.81 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.738 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.38 149.92 35.87 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.297 1.998 . . . . 0.0 111.524 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.618 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.4 OUTLIER -65.53 -12.07 49.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.704 0.288 . . . . 0.0 110.798 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 p30 -93.03 2.66 56.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.721 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.58 124.79 90.82 Favored Pre-proline 0 CA--C 1.542 0.67 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.736 -179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.71 -19.21 21.5 Favored 'Trans proline' 0 N--CA 1.494 1.516 0 C-N-CA 121.714 1.61 . . . . 0.0 112.186 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.8 21.18 9.87 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.478 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.568 HH12 ' C ' ' A' ' 84' ' ' ALA . 67.8 ttp85 -60.61 -43.06 97.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.57 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -68.86 -32.36 71.97 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.793 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.0 -48.09 75.18 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 m -61.65 -32.36 53.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.091 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.65 -49.94 73.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.437 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -70.01 -43.13 71.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.456 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.8 m -60.96 -46.36 91.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.662 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.21 90.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.622 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -52.17 -41.56 62.71 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.07 -43.17 99.77 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' NE2' ' C ' ' A' ' 5' ' ' THR . 56.1 mm-40 -63.83 -42.3 97.67 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.654 HD11 HD11 ' A' ' 75' ' ' LEU . 93.1 mt -60.86 -54.2 38.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.146 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.45 -44.09 92.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 -179.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.438 ' OD2' HG23 ' A' ' 5' ' ' THR . 88.4 m-20 -64.34 -40.91 96.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.405 -179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -56.19 -61.6 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.838 -179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 54' ' ' ARG . 0.1 OUTLIER -69.17 -35.74 69.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.208 -179.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 t -58.01 -48.27 80.53 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -75.99 -29.88 58.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.052 0.453 . . . . 0.0 110.844 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.51 ' OH ' ' N ' ' A' ' 11' ' ' TYR . 46.8 m-85 -101.79 16.79 24.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' ILE . 19.8 tpt85 -65.28 -42.46 93.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.932 0.396 . . . . 0.0 110.628 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 -85.03 0.74 50.49 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.011 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 tttp -61.87 -45.76 92.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.322 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.408 ' O ' ' OD1' ' A' ' 58' ' ' ASP . . . -173.64 4.04 0.03 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 3.1 p30 43.35 27.19 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.653 0.264 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 58' ' ' ASP . . . 74.89 168.72 0.29 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.08 2.04 58.21 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.82 -42.22 0.09 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.1 mp -104.99 125.74 51.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 0.0 110.357 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 66.2 tttm -64.78 -44.79 88.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.886 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.2 t -61.35 -47.83 84.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -63.48 -46.67 85.12 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.035 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 96.4 m -64.01 -47.56 79.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.714 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.9 m -63.58 -45.98 87.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.702 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' MET . . . . . . . . . . . . . 67.4 mmm -63.76 -41.88 97.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.282 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.527 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 12.9 tt0 -48.29 -57.25 6.25 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.594 -179.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -70.09 -43.79 70.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.696 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.76 -51.29 70.18 Favored 'General case' 0 N--CA 1.464 0.225 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.525 -178.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.61 ' HB3' HG23 ' A' ' 46' ' ' ILE . 9.5 mp -64.12 -40.94 97.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.812 0.339 . . . . 0.0 110.645 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 69' ' ' GLN . 75.0 m-20 -64.36 -37.15 86.49 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 74.8 m -59.53 -55.16 37.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.882 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.654 HD11 HD11 ' A' ' 46' ' ' ILE . 2.3 pp -73.71 -27.02 60.99 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.206 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 46' ' ' ILE . . . -58.76 -36.59 74.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.76 -29.07 63.85 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.569 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.545 ' CE2' HD22 ' A' ' 91' ' ' LEU . 4.6 m-85 -61.28 -41.68 97.36 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.89 0.345 . . . . 0.0 110.577 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 83' ' ' GLY . 30.3 m-85 -61.96 -48.37 80.69 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.537 -179.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.41 ' H ' HG22 ' A' ' 80' ' ' THR . 1.4 t -79.43 -33.47 42.51 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.39 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.4 m -60.67 -43.36 97.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.765 0.317 . . . . 0.0 111.068 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -105.48 -22.32 13.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.037 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 79' ' ' TYR . . . 91.8 -133.42 11.75 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' C ' HH12 ' A' ' 35' ' ' ARG . . . -75.62 46.09 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.981 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -109.04 122.89 38.51 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 119.548 -0.263 . . . . 0.0 110.46 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.61 143.22 61.55 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.123 1.215 . . . . 0.0 111.413 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.408 HG21 HD13 ' A' ' 87' ' ' ILE . 42.1 mt -63.76 136.14 96.59 Favored Pre-proline 0 CA--C 1.543 0.676 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -66.99 158.9 54.53 Favored 'Trans proline' 0 N--CA 1.497 1.681 0 C-N-CA 121.922 1.748 . . . . 0.0 112.166 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -62.41 -35.02 77.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.739 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -54.81 -53.28 57.25 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.463 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 78' ' ' TYR . 3.4 tp -66.72 -42.38 86.43 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.476 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -44.32 -41.25 5.89 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.966 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.12 -42.78 95.49 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.404 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -65.34 -45.21 85.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.032 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.4 mm? -65.29 -40.93 94.46 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.207 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -53.93 -43.61 69.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.068 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.24 -41.86 89.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.622 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -54.8 -46.76 74.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.801 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HB3' HG23 ' A' ' 19' ' ' ILE . 23.9 m-85 -68.15 -36.11 79.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.757 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.6 m -60.38 -43.3 96.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.286 0.565 . . . . 0.0 109.846 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -69.06 -34.56 75.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.646 179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -52.49 30.28 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.365 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.14 -35.47 80.39 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.847 0.356 . . . . 0.0 110.075 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -66.39 -38.26 87.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.362 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -69.26 -24.96 64.05 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.266 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.503 HD11 ' CB ' ' A' ' 15' ' ' THR . 5.6 mm -60.11 -43.69 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -63.89 -40.54 96.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.366 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -65.77 -21.26 66.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.39 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 62.45 33.65 86.98 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.914 -179.966 . . . . . . . . 0 0 . 1 stop_ save_